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8-C-Ascorbylepigallocatechin 3-gallate

Properties

Image

Occurences in reactions

MNX_ID

MNXM118615

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₈H₂₄O₁₇

charge

mass

632.10135

reference

hmdb:HMDB0039208

InChIKey

DKFWYWRZDCPNOB-UHFFFAOYSA-N

InChI

InChI=1S/C28H24O17/c29-7-16(35)24-28(41)27(40,26(39)44-24)19-17(45-28)6-11(30)10-5-18(42-25(38)9-3-14(33)21(37)15(34)4-9)22(43-23(10)19)8-1-12(31)20(36)13(32)2-8/h1-4,6,16,18,22,24,29-37,40-41H,5,7H2

SMILES

O=C(OC1Cc2c(O)cc3c(c2OC1c1cc(O)c(O)c(O)c1)C1(O)C(=O)OC(C(O)CO)C1(O)O3)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039208	8-C-Ascorbylepigallocatechin 3-gallate (+)-Heliannuol D 13-(1,2-Dihydroxyethyl)-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-5-yl 3,4,5-trihydroxybenzoic acid 13-(1,2-dihydroxyethyl)-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-5-yl 3,4,5-trihydroxybenzoate 2'-Deoxytetrahydrouridine 3,4,5,6-Tetrahydrodeoxyuridine 5,10-Epoxy-1,3,5-bisabolatriene-2,11-diol 8-C-Ascorbyl epigallocatechin 3-O-gallate 8-C-Ascorbylepigallocatechin 3-O-gallate 8-C-Ascorbylepigallocatechin 3-gallic acid THDU Tetrahydro-2'-deoxyuridine
hmdb:HMDB39208	secondary/obsolete/fantasy identifier