input word = C00054756

Metabolite InformationStructural formula
Name Azukisapogenol
Formula C30H48O4
Mw 472.35526002
CAS RN 86425-21-0
C_ID C00054756
InChIKey VVWRIMSHBALFKN-NPQAHHIISA-N
InChICode InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22+,23-,25+,26+,27-,28+,29+,30+/m0/s1
SMILES C[C@]1(CC[C@]23C)CC[C@](C[C@@]1([H])C2=CC[C@]4([H])[C@@](CC[C@H](O)[C@@]5(CO)C)(C5([H])CC[C@]43C)C)(C(O)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
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