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Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->8)-epicatechin 3-O-gallate

Image of MNXM125290
Properties
MNX_IDMNXM125290
formulaC66H49O30
charge-1
mass1322.0778
referencehmdb:HMDB37664
InChIKeyMHDUITHKUVVZLK-UHFFFAOYSA-M
InChIInChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2/p-1
SMILESOc1cc(O)c2C(C(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc2OC(C(OC(=O)c3cc(O)c([O-])c(O)c3)C(c3c(O)cc(O)c4CC(OC(=O)c5cc(O)c(O)c(O)c5)C(Oc34)c3ccc(O)c(O)c3)c2c1O)c1ccc(O)c(O)c1

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Occurrences of Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->8)-epicatechin 3-O-gallate in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB37664 2-(3,4-dihydroxyphenyl)-4-[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-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->8)-epicatechin 3-O-gallate