Results for:
PubChem ID: 442428

(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