input word = C00031395

Metabolite InformationStructural formula
Name Stigmastane-3,6-dione
Formula C29H48O2
Mw 428.36543078
CAS RN 77551-74-7
C_ID C00031395 ,
InChIKey HMMVBUVVQLUGQA-NNJLEAPHNA-N
InChICode InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22-,23-,24+,25+,26+,28-,29+/m1/s1
SMILES C1C(=O)C[C@@H]2[C@@](C1)([C@@H]1[C@H](CC2=O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@H](C(C)C)CC)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGleditsia sinensis LAM. Ref.
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