Results for:
PubChem ID: 9064

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Mass-Spectra

Compound Details

Synonymous names	Cianidanol (+)-catechin CATECHIN 154-23-4 Catechuic acid Catechinic acid Cyanidanol D-Catechin Catergen Cianidol (+)-Catechol (+)-Cyanidanol Biocatechin (+)-Cyanidan-3-ol D-Catechol D-(+)-Catechin Dexcyanidanol Catechin (flavan) Catechol (flavan) (+)-Catechin Hydrate (2R,3S)-Catechin (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 3-Cyanidanol, (+)- Cianidanolum Transepar (2R,3S)-(+)-Catechin DL-Catechin dl-Catechol (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol CCRIS 6855 7295-85-4 Catechin, d- (+)-Cianidanol 3,3',4',5,7-Flavanpentol KB-53 (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol NSC 2819 NSC-2819 2,3-trans-catechin (+)-Cyanidanol-3 (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 2,3-Dihydro-4-desoxoquercetin CHEBI:15600 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)- Cianidanolum [INN-Latin] AI3-22757 EINECS 205-825-1 (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol UNII-8R1V1STN48 Catechol (+) (+/-)-Catechin 8R1V1STN48 NSC2819 (2R,3S)-3,3',4',5,7-Flavanpentol CATECHIN, D (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)- Catechu (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol CHEMBL311498 DTXSID3022322 (+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol MFCD00075649 5J4Y243W61 100786-01-4 Gambier Katha trans-(+)-3,3',4',5,7-Flavanpentol Zyma Cianidanolum (INN-Latin) Cyanidanol-3 CIANIDANOL (MART.) CIANIDANOL [MART.] (+)-Cyanidol-3 Cutch (dye) (+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol (+)-CATECHIN (USP-RS) (+)-CATECHIN [USP-RS] Catechin-(+,-) hydrate Epicatechin-(-) Catechin (hydrate) Cianidanol [INN:JAN] MLS001056745 (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol Catechine dl-form (+-)-catechin (+/-)-catechol KB 53 SR-01000075742 SMR000326724 Catechinate Catechuate Drenoliver rac-catechin Tanningenic acid DL-Catechine UNII-5J4Y243W61 (+)-Catechin;Cianidanol;Catechuic acid Z 7300 Teafuran 30A KXN Prestwick_998 Sunkatol No. 1 EINECS 230-731-2 Slim 2 2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol RACEMIC CATECHIN Spectrum_000395 (+)-Catechin,(S) 2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol # CATECHIN [MI] CATECHIN, DL- CATECHIN [VANDF] CIANIDANOL [INN] CIANIDANOL [JAN] Prestwick0_000642 Prestwick0_000817 Prestwick1_000642 Prestwick1_000817 Prestwick2_000642 Prestwick2_000817 Prestwick3_000642 Spectrum2_000167 Spectrum3_000242 Spectrum4_001763 Spectrum5_000345 Epitope ID:116872 (+/-)-Catechin xHydrate CIANIDANOL [WHO-DD] Lopac0_000219 SCHEMBL19741 BSPBio_000643 BSPBio_001624 KBioGR_002245 KBioSS_000875 8001-48-7 154-23-4 , anhydride BIDD:ER0378 DivK1c_000647 SPBio_000033 SPBio_002564 SPBio_002634 CATECHIN DL-FORM [MI] BPBio1_000709 cid_107957 DTXCID202322 (3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol CATECHOL, (+/-)- ACon1_001489 BDBM23416 BDBM60836 CIANIDANOL, (+/-)- GTPL13091 HMS502A09 KBio1_000647 KBio2_000875 KBio2_003443 KBio2_006011 KBio3_001124 YK-85 Light Yellow Powder 85 4c94 NINDS_000647 DTXSID001349029 HMS1570A05 HMS1570D15 HMS2097A05 HMS3260L19 Pharmakon1600-00210205 (+)-Catechin, analytical standard HY-N0898 TNP00270 Tox21_500219 CCG-40007 LMPK12020001 NSC755824 s3974 s4722 STL570276 trans3,3,4,5,7 pentahydroxyflavane AKOS015960546 trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol CS-3759 DB14086 LP00219 MCULE-1532117250 ND-0342 NSC-755824 SDCCGMLS-0066526.P001 SDCCGSBI-0050207.P004 IDI1_000647 NCGC00017331-01 NCGC00017331-02 NCGC00017331-03 NCGC00017331-04 NCGC00017331-05 NCGC00017331-19 NCGC00093689-01 NCGC00093689-02 NCGC00093689-03 NCGC00260904-01 AC-11608 AC-35859 AS-72772 NCI60_002303 (+)-Catechin 1000 microg/mL in Acetone SBI-0050207.P003 1ST000259 EU-0100219 NS00004541 ( inverted exclamation markA)-Catechin hydrate (+)-Catechin 1000 microg/mL in Acetonitrile C 1251 C06562 D95105 H10916 AB00051886_13 EN300-6498629 (+/-)-Catechin 1000 microg/mL in Acetonitrile A809512 A878497 NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER) Q415007 (+)-CATECHIN (CONSTITUENT OF MARITIME PINE) Q-100183 SR-01000075742-1 SR-01000075742-7 SR-01000075742-8 SR-01000075742-9 BRD-K58736316-001-07-9 BRD-K58736316-001-08-7 SR-01000075742-10 SR-01000075742-12 SR-01000075742-14 (+)-CATECHIN (CONSTITUENT OF MARITIME PINE) [DSC] D4A04A57-7609-451F-A446-53F4DFAD15F5 (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate (+)-Catechin, United States Pharmacopeia (USP) Reference Standard (+)-CATECHIN (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS) (+)-CATECHIN (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT) (+)-Catechin, Pharmaceutical Secondary Standard; Certified Reference Material (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate (2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans) 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)- 2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2S,3R)-REL- 321-01-7 InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s
Microorganism:	No
IUPAC name	(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Inchi	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Formula	C15H14O6
PubChem ID	9064
Molweight	290.27
LogP	0.4
Atoms	21
Bonds	1
H-bond Acceptor	6
H-bond Donor	5
Chemical Classification	benzenoids flavonoids aromatic compounds phenols diols ethers flavonols
CHEBI-ID	15600
Supernatural-ID	SN0284216-02

mVOC Specific Details

MS-Links

MS-MS Spectrum 179498 MS-MS Spectrum 5796 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative MS-MS Spectrum 2129 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 179497 MS-MS Spectrum 5795 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive MS-MS Spectrum 179496 MS-MS Spectrum 201474 MS-MS Spectrum 201477 MS-MS Spectrum 226450 MS-MS Spectrum 201476 MS-MS Spectrum 181824 MS-MS Spectrum 201473 MS-MS Spectrum 181825 MS-MS Spectrum 201478 MS-MS Spectrum 201471 MS-MS Spectrum 2128 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 201472 MS-MS Spectrum 226448 MS-MS Spectrum 226447 MS-MS Spectrum 201475 MS-MS Spectrum 181826 MS-MS Spectrum 226451 MS-MS Spectrum 226449 MS-MS Spectrum 2130 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 226446

Massbank-Links

Massbank Spectrum MSBNK-BGC_Munich-RP017801 Massbank Spectrum MSBNK-BGC_Munich-RP017802 Massbank Spectrum MSBNK-BGC_Munich-RP017803 Massbank Spectrum MSBNK-BGC_Munich-RP017811 Massbank Spectrum MSBNK-BGC_Munich-RP017812 Massbank Spectrum MSBNK-BGC_Munich-RP017813 Massbank Spectrum MSBNK-BS-BS003013 Massbank Spectrum MSBNK-BS-BS003014 Massbank Spectrum MSBNK-BS-BS003015 Massbank Spectrum MSBNK-BS-BS003016 Massbank Spectrum MSBNK-IPB_Halle-PB001329 Massbank Spectrum MSBNK-IPB_Halle-PB001330 Massbank Spectrum MSBNK-IPB_Halle-PB001331 Massbank Spectrum MSBNK-IPB_Halle-PB001332 Massbank Spectrum MSBNK-IPB_Halle-PB002429 Massbank Spectrum MSBNK-IPB_Halle-PB002430 Massbank Spectrum MSBNK-IPB_Halle-PB002431 Massbank Spectrum MSBNK-IPB_Halle-PB002432 Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000403 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045501 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045502 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045503 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045504 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045507 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045508 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT104550 Massbank Spectrum MSBNK-RIKEN_ReSpect-PT204550 Massbank Spectrum MSBNK-RIKEN-PR100262 Massbank Spectrum MSBNK-RIKEN-PR100687 Massbank Spectrum MSBNK-RIKEN-PR302549 Massbank Spectrum MSBNK-RIKEN-PR302555 Massbank Spectrum MSBNK-RIKEN-PR302561 Massbank Spectrum MSBNK-RIKEN-PR302567 Massbank Spectrum MSBNK-RIKEN-PR302573 Massbank Spectrum MSBNK-RIKEN-PR302579 Massbank Spectrum MSBNK-RIKEN-PR302585 Massbank Spectrum MSBNK-RIKEN-PR302591 Massbank Spectrum MSBNK-RIKEN-PR302597 Massbank Spectrum MSBNK-RIKEN-PR302603 Massbank Spectrum MSBNK-RIKEN-PR302609 Massbank Spectrum MSBNK-RIKEN-PR302615

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