Results for:
chemical Classification: glycosides

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Compound Details

Synonymous names	Cynaroside Luteoloside 5373-11-5 Luteolin 7-glucoside Cinaroside Luteolin-7-glucoside Luteolin 7-O-glucoside Luteolin-7-O-glucoside Glucoluteolin 7-Glucoluteolin 7-Glucosylluteolin Luteolin 7-O-beta-D-glucoside Luteolin 7-monoglucoside Luteolin 7-O-glucopyranoside nephrocizin NEPHROCIZINE Flavopurposide Daphneflavonoloside 98J6XDS46I 26811-41-6 CHEBI:27994 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone EINECS 226-365-8 UNII-98J6XDS46I MLS002473222 CHEMBL233929 Luteolin-7-O-D-glucopyranoside 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Luteolin 7-.beta.-D-glucoside MFCD06799436 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- NSC 724451 NSC-724451 SMR000232358 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy- 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one luteolin glucoside 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy- LUTEOLIN 7-O-GLUCOSIDE (USP-RS) LUTEOLIN 7-O-GLUCOSIDE [USP-RS] 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one Luteolin, glucoside Luteolin monoglucoside SR-01000867987 luteolin-7-O-monoglucoside luteolin-7-beta-D-glucoside luteolin 7-O-beta-d-glucopyranoside 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one Luteolin 7-beta-glucoside Luteolin 7-O-D-glucoside Flavon, 3',4',5,7-tetrahydroxy-, glucoside luteolin-7-O-beta-glucoside Luteolin 7-beta-D-glucoside Luteolin 7-O-b-D-glucoside Luteolin-7-D-glucopyranoside SCHEMBL149118 Luteolin 7-b-D-Glucopyranoside MEGxp0_000619 7-beta-D-GLUCOSYLLUTEOLIN Luteolin-7-O-Glucoside ,(S) REGID_for_CID_657946 cid_5280637 DTXSID50949617 LUTEOLIN 7-O-beta-GLUCOSIDE REGID_for_CID_5280637 HMS2224O21 LUTEOLIN 7-GLUCOSIDE [MI] Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside HY-N0540 7-.BETA.-D-GLUCOSYLLUTEOLIN BDBM50241242 Luteolin 7-.beta.-D-glucopyranoside s9018 AKOS015903261 AC-6054 CCG-269211 CS-5712 LUTEOLIN 7-O-.BETA.-GLUCOSIDE MCULE-8191036162 LUTEOLIN 5-O-beta-GLUCOPYRANOSIDE LUTEOLIN 7-O-beta-GLUCOPYRANOSIDE LUTEOLIN 7-O-.BETA.-D-GLUCOSIDE NCGC00163589-01 NCGC00163589-02 AS-73889 Luteolin 7-glucoside, analytical standard LUTEOLIN, 7-beta-D-GLUCOPYRANOSIDE LUTEOLIN-7-O-4C1-beta-D-GLUCOSIDE 1ST000007 LUTEOLIN 5-O-.BETA.-GLUCOPYRANOSIDE LUTEOLIN 7-O-.BETA.-GLUCOPYRANOSIDE NS00043563 LUTEOLIN 7-O-.BETA.-D-GLUCOPYRANOSIDE LUTEOLIN, 7-.BETA.-D-GLUCOPYRANOSIDE LUTEOLIN-7-O-4C1-.BETA.-D-GLUCOSIDE C03951 Luteolin 7-glucoside;Luteolin 7-O--D-glucoside Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC) Luteolin-7-O-glucoside 1000 microg/mL in Ethanol Q2317288 SR-01000867987-2 SR-01000867987-3 7-(beta-D-GLUCOSYLOXY)-3',4',5-TRIHYDROXYFLAVONE 3',4',5,7-TETRAHYDROXYFLAVONE 7-beta-D-GLUCOPYRANOSIDE 3',4',5-TRIHYDROXYFLAVONE 7-O-beta-D-GLUCOPYRANOSIDE 7-(.BETA.-D-GLUCOSYLOXY)-3',4',5-TRIHYDROXYFLAVONE Luteolin 7-glucoside, primary pharmaceutical reference standard 3',4',5,7-TETRAHYDROXYFLAVONE 7-.BETA.-D-GLUCOPYRANOSIDE 3',4',5-TRIHYDROXYFLAVONE 7-O-.BETA.-D-GLUCOPYRANOSIDE 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside # Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one 2-(3,4-DIHYDROXYPHENYL)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-4H-1-BENZOPYRAN-4-ONE 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside
Microorganism:	Yes
IUPAC name	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SMILES	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
Inchi	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,2
Formula	C21H20O11
PubChem ID	5280637
Molweight	448.4
LogP	0.5
Atoms	32
Bonds	4
H-bond Acceptor	11
H-bond Donor	7
Chemical Classification	glycosides ethers benzenoids heterocyclic compounds aromatic compounds phenols
CHEBI-ID	27994
Supernatural-ID	SN0283051-15

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-BS-BS003960 Massbank Spectrum MSBNK-IPB_Halle-PN000059 Massbank Spectrum MSBNK-IPB_Halle-PN000060 Massbank Spectrum MSBNK-RIKEN_NPDepo-CB000316 Massbank Spectrum MSBNK-RIKEN_NPDepo-NGA03277 Massbank Spectrum MSBNK-RIKEN_NPDepo-NGA03278 Massbank Spectrum MSBNK-RIKEN_NPDepo-NGA03279 Massbank Spectrum MSBNK-RIKEN_NPDepo-NGA03280 Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000412 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042601 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042602 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042603 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042604 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042605 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042606 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042607 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042608 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042609 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042610 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042611 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS042612 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT104260 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT204260 Massbank Spectrum MSBNK-RIKEN-PR020062 Massbank Spectrum MSBNK-RIKEN-PR040135 Massbank Spectrum MSBNK-RIKEN-PR040136 Massbank Spectrum MSBNK-RIKEN-PR040137 Massbank Spectrum MSBNK-RIKEN-PR040138 Massbank Spectrum MSBNK-RIKEN-PR040139 Massbank Spectrum MSBNK-RIKEN-PR040140 Massbank Spectrum MSBNK-RIKEN-PR040141 Massbank Spectrum MSBNK-RIKEN-PR100247 Massbank Spectrum MSBNK-RIKEN-PR100669 Massbank Spectrum MSBNK-RIKEN-PR302004 Massbank Spectrum MSBNK-RIKEN-PR302010 Massbank Spectrum MSBNK-RIKEN-PR302016 Massbank Spectrum MSBNK-RIKEN-PR302022 Massbank Spectrum MSBNK-RIKEN-PR302028 Massbank Spectrum MSBNK-RIKEN-PR302034 Massbank Spectrum MSBNK-RIKEN-PR302040 Massbank Spectrum MSBNK-RIKEN-PR302046 Massbank Spectrum MSBNK-RIKEN-PR302051 Massbank Spectrum MSBNK-RIKEN-PR302057 Massbank Spectrum MSBNK-RIKEN-PR302063 Massbank Spectrum MSBNK-RIKEN-PR302069 Massbank Spectrum MSBNK-RIKEN-PR305563 Massbank Spectrum MSBNK-RIKEN-PR305569 Massbank Spectrum MSBNK-RIKEN-PR305576 Massbank Spectrum MSBNK-RIKEN-PR305582 Massbank Spectrum MSBNK-RIKEN-PR305588 Massbank Spectrum MSBNK-RIKEN-PR305594 Massbank Spectrum MSBNK-RIKEN-PR305600 Massbank Spectrum MSBNK-RIKEN-PR305606 Massbank Spectrum MSBNK-RIKEN-PR305612 Massbank Spectrum MSBNK-RIKEN-PR305617 Massbank Spectrum MSBNK-RIKEN-PR305624 Massbank Spectrum MSBNK-RIKEN-PR305631 Massbank Spectrum MSBNK-Univ_Toyama-TY000145 Massbank Spectrum MSBNK-Univ_Toyama-TY000146 Massbank Spectrum MSBNK-Washington_State_Univ-BML00102 Massbank Spectrum MSBNK-Washington_State_Univ-BML00114 Massbank Spectrum MSBNK-Washington_State_Univ-BML00126 Massbank Spectrum MSBNK-Washington_State_Univ-BML00134 Massbank Spectrum MSBNK-Washington_State_Univ-BML00142 Massbank Spectrum MSBNK-Washington_State_Univ-BML00149 Massbank Spectrum MSBNK-Washington_State_Univ-BML81655 Massbank Spectrum MSBNK-Washington_State_Univ-BML81656

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae grape juice LC-15C HPLC no

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Mass-Spectra

Compound Details

Synonymous names	hesperetin Hesperitin 520-33-2 3',5,7-Trihydroxy-4'-methoxyflavanone (-)-hesperetin (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one YSO2 41001-90-5 5,7,3'-Trihydroxy-4'-methoxyflavanone Cyanidanon 4'-methyl ether 1626 NSC 57654 Prestwick_908 (-)-(S)-hesperetin (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one NSC-57654 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- Eriodictyol 4'-monomethyl ether CHEBI:28230 Q9Q3D557F1 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one MFCD00075646 (2S)-hesperetin (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydro-4h-1-Benzopyran-4-One 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)- EINECS 208-290-2 Hesperitine UNII-Q9Q3D557F1 (S)-Hesperetin 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)- (2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (Hesperetin) 6JP TNP00238 (+-)-Hesperetin (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone 4'-Methoxy-3',5,7-trihydroxyflavanone Spectrum_000181 HESPERETIN [MI] (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one Prestwick0_000124 Prestwick1_000124 Prestwick2_000124 Prestwick3_000124 Spectrum2_001793 Spectrum3_001104 Spectrum4_001935 Spectrum5_000683 HESPERETIN [FHFI] HESPERETIN [INCI] 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone Oprea1_828704 SCHEMBL39833 BSPBio_000168 BSPBio_002808 KBioGR_002311 KBioSS_000661 SPECTRUM310012 Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) MLS002154205 BIDD:ER0512 DivK1c_001039 SPBio_001745 SPBio_002107 BPBio1_000186 CHEMBL399121 DTXSID4022319 FEMA NO. 4313 BCBcMAP01_000087 BDBM23418 GTPL10953 HMS503O19 KBio1_001039 KBio2_000661 KBio2_003229 KBio2_005797 KBio3_002028 NINDS_001039 HMS1568I10 HMS2095I10 HMS2230M09 HMS3649H22 HMS3884N11 NP-13 (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one BCP28273 HY-N0168 BBL104011 CCG-38441 LMPK12140003 s2308 STL557824 AKOS016339567 AC-7970 DB01094 KS-5307 SDCCGMLS-0066605.P001 IDI1_001039 SMP1_000148 NCGC00016482-01 NCGC00016482-02 NCGC00016482-03 NCGC00016482-04 NCGC00142415-01 NCGC00142415-02 1ST40171 5,7, 3'-Trihydroxy-4'-methoxyflavanone CAS-520-33-2 SMR001233491 Flavanone, 3',5,7-trihydroxy-4'-methoxy- H0721 Hesperitin; Hesperin; YSO2; Prestwick_908 NS00014845 SW197026-2 C01709 H10029 A828900 Discontinued. Please see H289480 or H289501 Q411310 SR-01000946723 SR-01000946723-1 BRD-K30553453-001-05-8 BRD-K30553453-001-08-2 Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN) Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI) (S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one;Hesperetin (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 2,3-DIHYDRO-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Microorganism:	No
IUPAC name	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILES	COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
Inchi	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Formula	C16H14O6
PubChem ID	72281
Molweight	302.28
LogP	2.4
Atoms	22
Bonds	2
H-bond Acceptor	6
H-bond Donor	3
Chemical Classification	aromatic compounds glycosides benzenoids ethers ketones phenols
CHEBI-ID	28230
Supernatural-ID	SN0006614-01

mVOC Specific Details

1D-NMR-Links

1D NMR Spectrum 4165 1D NMR Spectrum 3891

Massbank-Links

Massbank Spectrum MSBNK-BS-BS003469 Massbank Spectrum MSBNK-BS-BS003470 Massbank Spectrum MSBNK-BS-BS003471 Massbank Spectrum MSBNK-BS-BS003472 Massbank Spectrum MSBNK-BS-BS003473 Massbank Spectrum MSBNK-BS-BS003474 Massbank Spectrum MSBNK-Fiocruz-FIO00130 Massbank Spectrum MSBNK-Fiocruz-FIO00131 Massbank Spectrum MSBNK-Fiocruz-FIO00132 Massbank Spectrum MSBNK-Fiocruz-FIO00133 Massbank Spectrum MSBNK-Fiocruz-FIO00134 Massbank Spectrum MSBNK-Fiocruz-FIO00135 Massbank Spectrum MSBNK-Fiocruz-FIO00136 Massbank Spectrum MSBNK-Fiocruz-FIO00137 Massbank Spectrum MSBNK-Fiocruz-FIO00138 Massbank Spectrum MSBNK-Fiocruz-FIO00139 Massbank Spectrum MSBNK-RIKEN-PR100772 Massbank Spectrum MSBNK-RIKEN-PR302864 Massbank Spectrum MSBNK-RIKEN-PR302870 Massbank Spectrum MSBNK-RIKEN-PR302876 Massbank Spectrum MSBNK-RIKEN-PR302882 Massbank Spectrum MSBNK-RIKEN-PR302888 Massbank Spectrum MSBNK-RIKEN-PR302894 Massbank Spectrum MSBNK-RIKEN-PR302900 Massbank Spectrum MSBNK-RIKEN-PR302906 Massbank Spectrum MSBNK-RIKEN-PR302912 Massbank Spectrum MSBNK-RIKEN-PR302918 Massbank Spectrum MSBNK-RIKEN-PR302924 Massbank Spectrum MSBNK-RIKEN-PR302930

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Ganoderma Lucidum na Korea Kim et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Ganoderma Lucidum na HPLC yes

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

Compound Details

Synonymous names	1464-44-4 Phenyl beta-D-glucopyranoside Phenyl-beta-D-glucopyranoside Phenylglucoside Phenol glucoside Phenyl beta-D-glucoside .beta.-D-Glucopyranoside, phenyl Aryl beta-D-glucoside Phenyl-beta-D-glucoside beta-D-Glucopyranoside, phenyl (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4,5-triol (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxy-tetrahydro-2H-pyran-3,4,5-triol 4W3PGI3766 Glucopyranoside, phenyl-, .beta.-D- C12H16O6 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol phenyl |A-d-glucopyranoside Phenyl b-D-glucopyranoside Phenyl hexopyranoside # 2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol Glucopyranoside, phenyl-, beta-D- EINECS 215-978-6 BRN 0087517 UNII-4W3PGI3766 bmse000770 Phenyl-.beta.-D-glucoside PHENYL ?-D-GLUCOSIDE 5-17-07-00046 (Beilstein Handbook Reference) Phenyl beta -D-glucopyranoside CHEBI:8083 SCHEMBL1004929 CHEMBL4105357 Phenyl-.beta.-D-glucopyranoside BDBM36025 GTPL12455 DTXSID40883677 PHENYL .BETA.-D-GLUCOSIDE Phenyl-(c)micro-D-glucopyranoside HMS1614E16 Phenyl beta-D-glucopyranoside, 97% MFCD00204281 AKOS001669140 CCG-249827 CS-W012565 HY-W011849 MCULE-4450022695 MCULE-6682237129 PHENYL .BETA.-D-GLUCOPYRANOSIDE NCGC00385978-01 AS-59078 NS00045410 P0178 C03097 D82047 A884507 Q27107738
Microorganism:	Yes
IUPAC name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
SMILES	C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
Inchi	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
Formula	C12H16O6
PubChem ID	65080
Molweight	256.25
LogP	-0.9
Atoms	18
Bonds	3
H-bond Acceptor	6
H-bond Donor	4
Chemical Classification	aromatic compounds glycosides ethers alcohols benzenoids
CHEBI-ID	8083
Supernatural-ID	SN0243688-02

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Stenotrophomonas Maltophilia antifungal activity against Colletotrichum nymphaeae isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province Alijani et al. 2020
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Stenotrophomonas Maltophilia NA media GC-MS no

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Compound Details

Synonymous names	naringin 10236-47-2 aurantiin Naringoside Naringenin 7-Rhamnoglucoside (2S)-Naringin Naringenin 7-O-neohesperidoside UNII-N7TD9J649B N7TD9J649B CHEBI:28819 Naringenine-7-rhamnosidoglucoside Naringenin-7-beta-neohesperidoside EINECS 233-566-4 4'5-diOH-Flavone-7-rhgluc AI3-19008 CHEMBL451532 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihyd DTXSID6022478 NARINGENIN-7-RHAMNOGLUCOSIDE (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2 (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy 4',5,7-Trihydroxyflavanone-7-rhamnoglucoside NARINGIN (USP-RS) NARINGIN [USP-RS] 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone 4',5,7-trihydroxyflavanone 7-rhamnoglucoside Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside) Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside] MFCD00148888 (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)- SR-01000736681 naringenin-7-hesperidoside Naringenin 7-O-(alpha-L-rhamnosyl-(1->2)-beta-D-glucoside) Naringin extract Naringenin,(S) (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)-5- Naringenin Glycoside Naringin (Naringoside) NARINGIN [INCI] NARINGIN [MI] 132203-74-8 Prestwick0_000467 Prestwick1_000467 Prestwick2_000467 Prestwick3_000467 AURANTIIN [WHO-DD] SCHEMBL23432 BSPBio_000574 cid_25075 MLS000069459 BIDD:ER0262 DivK1c_000247 SPBio_002513 BPBio1_000632 cid_442428 DTXCID302478 GTPL4738 MEGxp0_001877 ACon1_000139 HMS500M09 KBio1_000247 NINDS_000247 CITRUS NARINGININE [VANDF] HMS2231M18 HY-N0153 BDBM50241582 s2329 AKOS016034302 CCG-208591 CS-5632 MCULE-5348711723 IDI1_000247 NCGC00142617-01 NCGC00142617-02 NCGC00142617-03 1ST40036 AS-12929 SMR000059108 XN167836 NS00014639 C09789 A800566 Q418469 SR-01000736681-4 SR-01000736681-5 BRD-K02953697-001-09-2 BRD-K02953697-002-03-3 (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydro (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)ch (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hy (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxypheny (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)- 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)- 4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-,(S)- 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ZWN
Microorganism:	No
IUPAC name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Inchi	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,
Formula	C27H32O14
PubChem ID	442428
Molweight	580.5
LogP	-0.5
Atoms	41
Bonds	6
H-bond Acceptor	14
H-bond Donor	8
Chemical Classification	ketones alcohols benzenoids ethers aromatic compounds glycosides phenols
CHEBI-ID	28819
Supernatural-ID	SN0064452-38

mVOC Specific Details

Boiling Point	Degree Reference 922 median
MS-Links	MS-MS Spectrum 201849 MS-MS Spectrum 226061 MS-MS Spectrum 5804 - LC-ESI-ITTOF (Shimadzu LC20A-IT-TOFMS) Negative MS-MS Spectrum 226062 MS-MS Spectrum 226070 MS-MS Spectrum 201844 MS-MS Spectrum 201848 MS-MS Spectrum 201852 MS-MS Spectrum 226069 MS-MS Spectrum 226065 MS-MS Spectrum 2169 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 201850 MS-MS Spectrum 226063 MS-MS Spectrum 201845 MS-MS Spectrum 201843 MS-MS Spectrum 226060 MS-MS Spectrum 226059 MS-MS Spectrum 201851 MS-MS Spectrum 226067 MS-MS Spectrum 201847 MS-MS Spectrum 201853 MS-MS Spectrum 201846 MS-MS Spectrum 226068 MS-MS Spectrum 226064 MS-MS Spectrum 226066
Massbank-Links	Massbank Spectrum MSBNK-BS-BS003381 Massbank Spectrum MSBNK-BS-BS003382 Massbank Spectrum MSBNK-BS-BS003383 Massbank Spectrum MSBNK-BS-BS003384 Massbank Spectrum MSBNK-BS-BS003385 Massbank Spectrum MSBNK-BS-BS003386 Massbank Spectrum MSBNK-IPB_Halle-PB000783 Massbank Spectrum MSBNK-IPB_Halle-PB000784 Massbank Spectrum MSBNK-IPB_Halle-PB000785 Massbank Spectrum MSBNK-IPB_Halle-PB000801 Massbank Spectrum MSBNK-IPB_Halle-PB000802 Massbank Spectrum MSBNK-IPB_Halle-PB000803 Massbank Spectrum MSBNK-IPB_Halle-PB000804 Massbank Spectrum MSBNK-IPB_Halle-PB005722 Massbank Spectrum MSBNK-IPB_Halle-PB005723 Massbank Spectrum MSBNK-IPB_Halle-PB005724 Massbank Spectrum MSBNK-IPB_Halle-PB005725 Massbank Spectrum MSBNK-IPB_Halle-PB005726 Massbank Spectrum MSBNK-MPI_for_Chemical_Ecology-CE000186 Massbank Spectrum MSBNK-MPI_for_Chemical_Ecology-CE000187 Massbank Spectrum MSBNK-MPI_for_Chemical_Ecology-CE000188 Massbank Spectrum MSBNK-MPI_for_Chemical_Ecology-CE000189 Massbank Spectrum MSBNK-MPI_for_Chemical_Ecology-CE000190 Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000416 Massbank Spectrum MSBNK-RIKEN-PR303709 Massbank Spectrum MSBNK-RIKEN-PR303712 Massbank Spectrum MSBNK-RIKEN-PR303715 Massbank Spectrum MSBNK-RIKEN-PR303720 Massbank Spectrum MSBNK-RIKEN-PR303723 Massbank Spectrum MSBNK-RIKEN-PR303726 Massbank Spectrum MSBNK-RIKEN-PR303729 Massbank Spectrum MSBNK-RIKEN-PR303732 Massbank Spectrum MSBNK-RIKEN-PR303735 Massbank Spectrum MSBNK-RIKEN-PR303738 Massbank Spectrum MSBNK-RIKEN-PR303741 Massbank Spectrum MSBNK-RIKEN-PR307589 Massbank Spectrum MSBNK-RIKEN-PR307605 Massbank Spectrum MSBNK-RIKEN-PR307617 Massbank Spectrum MSBNK-RIKEN-PR307622 Massbank Spectrum MSBNK-RIKEN-PR307630 Massbank Spectrum MSBNK-RIKEN-PR307634 Massbank Spectrum MSBNK-RIKEN-PR310487 Massbank Spectrum MSBNK-Univ_Toyama-TY000029 Massbank Spectrum MSBNK-Washington_State_Univ-BML01161 Massbank Spectrum MSBNK-Washington_State_Univ-BML01170 Massbank Spectrum MSBNK-Washington_State_Univ-BML01179 Massbank Spectrum MSBNK-Washington_State_Univ-BML81785 Massbank Spectrum MSBNK-Washington_State_Univ-BML81786 Massbank Spectrum MSBNK-Washington_State_Univ-BML81788

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Pleurotus Ostreatus na Korea Kim et al. 2008 Eukaryota Agaricus Bisporus na Korea Kim et al. 2008 Eukaryota Pleurotus Eryngii na Korea Kim et al. 2008 Eukaryota Ganoderma Lucidum na Korea Kim et al. 2008 Eukaryota Inonotus Obliquus na Korea Kim et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Pleurotus Ostreatus na HPLC yes Eukaryota Agaricus Bisporus na HPLC yes Eukaryota Pleurotus Eryngii na HPLC yes Eukaryota Ganoderma Lucidum na HPLC yes Eukaryota Inonotus Obliquus na HPLC yes

Methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Compound Details

Synonymous names	Eta-Pyrromycinon 21288-61-9 Antibiotic MA 144D2 PYRROMYCINONE, EPSILON .epsilon.-Pyrromycinone 54773-77-2 SCHEMBL21803695 DTXSID70943793 RWCVSDKDFSVZNF-UHFFFAOYSA-N NSC114778 NSC-114778 2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester DB-260980 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-6,11-dioxo-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]- Methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenecarboxylate # methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Microorganism:	Yes
IUPAC name	methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SMILES	CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O)O
Inchi	InChI=1S/C22H20O9/c1-3-22(30)7-12(25)13-8(17(22)21(29)31-2)6-9-14(19(13)27)20(28)16-11(24)5-4-10(23)15(16)18(9)26/h4-6,12,17,23-25,27,30H,3,7H2,1-2H3
Formula	C22H20O9
PubChem ID	271301
Molweight	428.4
LogP	2.7
Atoms	31
Bonds	3
H-bond Acceptor	9
H-bond Donor	5
Chemical Classification	alcohols aromatic compounds benzenoids esters glycosides phenols
Supernatural-ID	SN0336849

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Pectobacterium Carotovorum Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Pectobacterium Carotovorum inoculated potato samples GC-MS no