input word = C00009152

Metabolite InformationStructural formula
Name ent-Fisetinidol-(4alpha->8)-catechin-(6->4alpha)-ent-fisetinidol
Formula C45H38O16
Mw 834.21598517
CAS RN 88269-49-2
C_ID C00009152 ,
InChIKey VYURQCQMACPHRC-HDMLTQLQNA-N
InChICode InChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2/t31-,34+,35+,40-,41-,42-,43+,44+/m1/s1
SMILES [C@@H]1([C@H]([C@@H](Oc2c1ccc(c2)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 leptodictya Ref.
PlantaeAnacardiaceaeSchinopsis balansae Ref.
PlantaeAnacardiaceaeSchinopsis lorentzii Ref.
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