input word = C00039312

Metabolite InformationStructural formula
Name Gymnasterone B
(-)-Gymnasterone B
Formula C28H40O3
Mw 424.29774514
CAS RN 209169-58-4
C_ID C00039312 ,
InChIKey NMGBSMCZPMYTKL-ZQGYHFTENA-N
InChICode InChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)21-15-25-28(31-25)22-14-24(30)23-13-19(29)9-11-26(23,5)20(22)10-12-27(21,28)6/h7-8,14,16-18,20-21,23,25H,9-13,15H2,1-6H3/b8-7+/t17-,18-,20-,21+,23-,25+,26+,27+,28+/m0/s1
SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]2O[C@]23C2=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C
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