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 Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mearnsii Ref.
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OrganismAcacia mearnsii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter45