input word = C00009122

Metabolite InformationStructural formula
Name [Epigallocatechin-(4->8)]3-epigallocatechin
Formula C60H50O28
Mw 1218.24886102
CAS RN
C_ID C00009122 ,
InChIKey OQMLNDHISZBLCU-NTCBNGEBNA-N
InChICode InChI=1S/C60H50O28/c61-19-9-22(63)38-37(10-19)85-55(16-3-30(71)48(79)31(72)4-16)51(82)44(38)40-24(65)13-26(67)42-46(53(84)57(87-59(40)42)18-7-34(75)50(81)35(76)8-18)43-27(68)14-25(66)41-45(52(83)56(88-60(41)43)17-5-32(73)49(80)33(74)6-17)39-23(64)12-21(62)20-11-36(77)54(86-58(20)39)15-1-28(69)47(78)29(70)2-15/h1-10,12-14,36,44-46,51-57,61-84H,11H2/t36-,44-,45-,46+,51+,52+,53+,54-,55+,56+,57+/m0/s1
SMILES c12c([C@H]([C@H]([C@H](O1)c1cc(c(c(c1)O)O)O)O)c1c3c([C@@H]([C@H]([C@H](O3)c3cc(c(c(c3)O)O)O)O)c3c4c([C@@H]([C@H]([C@H](O4)c4cc(c(c(c4)O)O)O)O)c4c5c(C[C@@H]([C@@H](O5)c5cc(c(c(c5)O)O)O)O)c(cc4O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton lechleri Ref.
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