input word = C00009242

Metabolite InformationStructural formula
Name Fisetinidol-(4alpha->8)-catechin-3-O-gallate
Formula C37H30O15
Mw 714.15847029
CAS RN 117479-72-8
C_ID C00009242 ,
InChIKey UCQWKYTZHALURJ-LDKJTTQJNA-N
InChICode InChI=1S/C37H30O15/c38-17-3-4-18-28(11-17)50-35(15-2-6-21(40)24(43)8-15)33(48)30(18)31-25(44)13-22(41)19-12-29(51-37(49)16-9-26(45)32(47)27(46)10-16)34(52-36(19)31)14-1-5-20(39)23(42)7-14/h1-11,13,29-30,33-35,38-48H,12H2/t29-,30+,33+,34-,35-/m1/s1
SMILES O=C(O[C@H]1Cc2c(O)cc(O)c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBurkea africana Ref.
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