input word = C00058741

Metabolite InformationStructural formula
Name Subprogenin A
Formula C30H48O4
Mw 472.35526002
CAS RN 138822-63-6
C_ID C00058741
InChIKey MCXBUCDXRNABAN-JDISBVPUSA-N
InChICode InChI=1S/C30H48O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-23,31-33H,8-18H2,1-6H3/t20-,21+,22+,23-,25-,26+,27-,28+,29+,30+/m0/s1
SMILES C[C@@]1(CO)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora subprostrata Ref.
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