input word = C00039313

Metabolite InformationStructural formula
Name Gymnasterone C
Formula C28H40O2
Mw 408.30283052
CAS RN 234757-13-2
C_ID C00039313 ,
InChIKey XRXZKBAAJAKIMB-CQQWDYAFNA-N
InChICode InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,15,17-19,21,23-24,29H,11-14,16H2,1-6H3/b8-7+/t18-,19-,21-,23-,24+,27-,28+/m0/s1
SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGymnoascaceaeGymnascella dankaliensis Ref.
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OrganismGymnascella dankaliensis
ReferenceAmagata,J.Nat.Prod.,71,(2008),340