input word = C00009157

Metabolite InformationStructural formula
Name ent-Fisetinidol-(4alpha->6)-ent-fisetinidol-(4alpha->8)-catechin-(6->4alpha)-ent-fisetinidol
Formula C60H50O21
Mw 1106.28445866
CAS RN
C_ID C00009157 ,
InChIKey VXLNEWGFXZSMQE-FZDNWXBSNA-N
InChICode InChI=1S/C60H50O21/c61-26-5-7-28-43(17-26)78-57(23-2-10-34(64)39(69)14-23)53(75)46(28)30-19-31-45(21-37(30)67)80-59(25-4-12-36(66)41(71)16-25)55(77)48(31)50-52(74)49(51(73)32-20-42(72)56(81-60(32)50)22-1-9-33(63)38(68)13-22)47-29-8-6-27(62)18-44(29)79-58(54(47)76)24-3-11-35(65)40(70)15-24/h1-19,21,42,46-48,53-59,61-77H,20H2/t42-,46-,47-,48-,53+,54+,55+,56-,57-,58-,59-/m0/s1
SMILES [C@@H]1([C@H]([C@@H](Oc2c1cc(c(c2)O)[C@H]1[C@H]([C@@H](Oc2c1ccc(c2)O)c1ccc(c(c1)O)O)O)c1ccc(c(c1)O)O)O)c1c2O[C@H]([C@H](Cc2c(c(c1O)[C@H]1[C@H]([C@@H](Oc2c1ccc(c2)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeRhus lancea Ref.
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