input word = C00037813

Metabolite InformationStructural formula
Name Sepesteonol
Formula C29H48O2
Mw 428.36543078
CAS RN 88548-08-7
C_ID C00037813 ,
InChIKey ICFXJOAKQGDRCT-UHFFFAOYNA-N
InChICode InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23+,24+,25+,27+,28+,29+/m1/s1
SMILES CCC(CCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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