input word = C00056686

Metabolite InformationStructural formula
Name 25-Methylgramisterol
Formula C30H50O
Mw 426.38616622
CAS RN 123086-79-3
C_ID C00056686
InChIKey KRMCRDNDVNGZDL-CSGRPQDZSA-N
InChICode InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3/t19-,21+,23-,24+,25+,26+,27+,29-,30+/m1/s1
SMILES O[C@@H]1[C@H]([C@]([H])(CC=C2[C@]3([H])CC[C@]4([C@]2(CC[C@]4([H])[C@@H](CCC(C(C)(C)C)=C)C)[H])C)[C@]3(C)CC1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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