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ent-Epicatechin-(4alpha->8)-ent-epicatechin 3,3'-digallate

Image of MNXM125266
Properties
MNX_IDMNXM125266
formulaC44H34O20
charge0
mass882.7288
referencehmdb:HMDB41260
InChIKeyKTLUHRSHFRODPS-UHFFFAOYSA-N
InChIInChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2
SMILESOc1cc(O)c2C(C(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc12)c1ccc(O)c(O)c1

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Occurrences of ent-Epicatechin-(4alpha->8)-ent-epicatechin 3,3'-digallate in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB41260 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3,3'-digallate