input word = C00041127

Metabolite InformationStructural formula
Name Stigmastan 3,6-dione
Formula C29H48O2
Mw 428.36543078
CAS RN 22149-69-5
C_ID C00041127 ,
InChIKey HMMVBUVVQLUGQA-DZPCDBKYNA-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 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeLarix kaempferi (Lamb.) Carr Ref.
PlantaeSaururaceaeHouttuynia cordata Ref.
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OrganismHouttuynia cordata
Referencehttps://doi.org/10.1002/jccs.199300062