input word = C00002936

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-catechin-(6->4alpoha)-robinetinidol
Formula C45H38O18
Mw 866.20581441
CAS RN 85820-29-7
C_ID C00002936 ,
InChIKey QZNRDKYJASOYMZ-UONJIVIDNA-N
InChICode InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1
SMILES c1(cc2c(cc1)[C@H]([C@@H]([C@H](O2)c1cc(c(c(c1)O)O)O)O)c1c(c(c(c2c1O[C@@H]([C@H](C2)O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H](Oc2c1ccc(c2)O)c1cc(c(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mearnsii Ref.
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