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(-)-epigallocatechin 3-gallate

PropertiesImage
MNX_IDMNXM30289 Image of MNXM30289
referencechebi:4806
formulaC22H18O11
global charge0
mol weight458.375
InChIKeyWMBWREPUVVBILR-WIYYLYMNSA-N
InChIInChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
SMILESO=C(O[C@@H]1CC2=C(C=C(O)C=C2O)O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 Image of MNXM30289
SMILES (mnx)[CH:1]1=[C:8]([C@@H:21]2[C@H:18]([O:33][C:22]([C:9]3=[CH:3][C:15]([OH:27])=[C:20]([OH:30])[C:16]([OH:28])=[CH:4]3)=[O:31])[CH2:7][C:11]3=[C:12]([OH:24])[CH:5]=[C:10]([OH:23])[CH:6]=[C:17]3[O:32]2)[CH:2]=[C:14]([OH:26])[C:19]([OH:29])=[C:13]1[OH:25]
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:4806
chebi:4806
WMBWREPUVVBILR-WIYYLYMNSA-N 		(-)-epigallocatechin 3-gallate
(-)-epigallocatechin 3-O-gallate
(-)-epigallocatechin gallate
(-)-epigallocatechin-3-O-gallate
(-)-epigallocatechol gallate
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
3-O-galloyl-(-)-epigallocatechin
EGCG
L-epigallocatechin gallate
NVP-XAA 723
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
epigallocatechin 3-O-gallate
epigallocatechin 3-gallate
epigallocatechin gallate

metacyc.compound:CPD-15291
metacycM:CPD-15291
WMBWREPUVVBILR-WIYYLYMNSA-N 		(-)-epigallocatechin-3-O-gallate
(-)-epigallocatechin 3-gallate
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

lipidmaps:LMPK12030005
lipidmapsM:LMPK12030005
WMBWREPUVVBILR-WIYYLYMNSA-N 		Epigallocatechin 3-gallate

seed.compound:cpd06623
seedM:cpd06623
WMBWREPUVVBILR-WIYYLYMNSA-N 		Epigallocatechin 3-gallate
(-)-epigallocatechin 3-gallate
(-)-epigallocatechin gallate
(-)-epigallocatechin-3-O-gallate
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
epigallocatechin3gallate
hmdb:HMDB0003153
WMBWREPUVVBILR-WIYYLYMNSA-N 		Epigallocatechin gallate
(-)-Epigallocatechin gallat
(-)-Epigallocatechin gallate
(-)-Epigallocatechin-3-O-gallate
(-)-Epigallocatechin-3-O-gallic acid
(-)-Epigallocatechol gallate
(-)-Epigallocatehin gallate
(-)-epigallocatechin gallate
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Catechin deriv.
EGCG
EGCG CPD
Epigallo-catechin gallate
Epigallocatcchin gallate
Epigallocate
Epigallocatechin 3-gallate
Epigallocatechin 3-gallic acid
Epigallocatechin gallic acid
Epigallocatechin-3-O-gallate
Epigallocatechin-3-gallate
Epigallocic acid
Galloyl-L-epigallocatechol
Sunphenon
Tea catechin
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoic acid

kegg.compound:C09731
keggC:C09731
WMBWREPUVVBILR-WIYYLYMNSA-N 		Epigallocatechin gallate
(-)-Epigallocatechin-3-O-gallate

hmdb:HMDB03153
keggC:M_C09731
seedM:M_cpd06623 		secondary/obsolete/fantasy identifier