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(-)-gallocatechin

PropertiesImage
MNX_IDMNXM165255 Image of MNXM165255
referencechebi:71225
formulaC15H14O7
global charge0
mol weight306.27
InChIKeyXMOCLSLCDHWDHP-DOMZBBRYSA-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+/m1/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+/m1/s1 Image of MNXM165255
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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71225
chebi:71225
XMOCLSLCDHWDHP-DOMZBBRYSA-N 		(-)-gallocatechin
(2S,3R)-(-)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3R)-flavan-3,3',4',5,5',7-hexol
(2S,3R)-flavan-3,5,7,3',4',5'-hexol
(2S,3R)-gallocatechin
ent-gallocatechin

metacyc.compound:CPD-19098
metacycM:CPD-19098
seed.compound:cpd35481
seedM:cpd35481
XMOCLSLCDHWDHP-DOMZBBRYSA-N 		(-)-gallocatechin
(2S,3R)-gallocatechin
hmdb:HMDB0302404
XMOCLSLCDHWDHP-DOMZBBRYSA-N 		4-Gallocatechol
(2S,3R)-(-)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2S,3R)-Flavan-3,3',4',5,5',7-hexol
(2S,3R)-Flavan-3,5,7,3',4',5'-hexol
(2S,3R)-Gallocatechin
ent-Gallocatechin
epigallocatechin

seedM:M_cpd35481 		secondary/obsolete/fantasy identifier