Search MNXref
 Feedback

(+)-gallocatechin

PropertiesImage
MNX_IDMNXM114386 Image of MNXM114386
referencechebi:31018
formulaC15H14O7
global charge0
mol weight306.27
InChIKeyXMOCLSLCDHWDHP-SWLSCSKDSA-N
InChIInChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
SMILESOC1=CC2=C(C[C@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1 Image of MNXM114386
SMILES (mnx)[CH:1]1=[C:6]([C@@H:15]2[C@@H:12]([OH:20])[CH2:5][C:8]3=[C:9]([OH:17])[CH:3]=[C:7]([OH:16])[CH:4]=[C:13]3[O:22]2)[CH:2]=[C:11]([OH:19])[C:14]([OH:21])=[C:10]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31018
chebi:31018
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-gallocatechin
(+)-gallocatechol
(2R,3S)-(+)-gallocatechin
(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2R,3S)-flavan-3,3',4',5,5',7-hexol
(2R,3S)-flavan-3,5,7,3',4',5'-hexol
(2R,3S)-gallocatechin
gallocatechin

lipidmaps:LMPK12020002
lipidmapsM:LMPK12020002
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-Gallocatechin
hmdb:HMDB0038365
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-Gallocatechin
(+)-Gallocatechol
(+)-gallocatechin
(+)-trans-3,3',4',5,5',7-Hexahydroxyflavan
(2R,3S)-(+)-Gallocatechin
(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
(2R,3S)-Flavan-3,3',4',5,5',7-hexol
(2R,3S)-Flavan-3,5,7,3',4',5'-hexol
(2R,3S)-Gallocatechin
Casuarin
Epigallocatechin
Epigallocatechol
Gallocatechin
Gallocatechol
Gallocatechol, (2R-cis)-isomer
Gallocatechol, (2R-trans)-isomer
Gallocatechol, (2S-trans)-isomer
NSC 674038
d-Gallocatechin
d-Gallocatechol

seed.compound:cpd08909
seedM:cpd08909
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-Gallocatechin
(+)-gallocatechin
(+)-gallocatechol
Gallocatechol
gallocatechin
gallocatechol

kegg.compound:C12127
keggC:C12127
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-Gallocatechin
Gallocatechol

metacyc.compound:CPD-10358
metacycM:CPD-10358
XMOCLSLCDHWDHP-SWLSCSKDSA-N 		(+)-gallocatechin
(+)-gallocatechol

CHEBI:68330
chebi:68330 		gallocatechin
(2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
(2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Gallocatechol
gallocatechol
rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

hmdb:HMDB38365
keggC:M_C12127
seedM:M_cpd08909 		secondary/obsolete/fantasy identifier