input word = C00061844

Metabolite InformationStructural formula
Name Stigmasterol acetate
Formula C31H50O2
Mw 454.38108084
CAS RN 4651-48-3
C_ID C00061844
InChIKey IZEUIYYDWBKERE-KTKRTIGZSA-N
InChICode InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
SMILES CCC(C=CC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber officinale Ref.
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