input word = C00037299

Metabolite InformationStructural formula
Name Incanilin
Formula C30H48O4
Mw 472.35526002
CAS RN 31298-98-3
C_ID C00037299 ,
InChIKey ZBCZXCWAUZVUEH-GDTDOORGNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)21-10-9-19-18(27(21,5)14-12-22(25)32)11-15-28(6)24(20(31)17-29(19,28)7)30(8)16-13-23(34-30)26(3,4)33/h20-21,23-24,31,33H,9-17H2,1-8H3/t20-,21-,23-,24-,27+,28+,29-,30+/m0/s1
SMILES CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium argentatum Gray Ref.
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