input word = C00063326

Metabolite InformationStructural formula
Name (4alpha,7beta)-7,16,17-Trihydroxykauran-18-oic acid
Formula C20H32O5
Mw 352.22497413
CAS RN 90364-71-9
C_ID C00063326
InChIKey DJQLZKDZWLXHRN-PLBITRRESA-N
InChICode InChI=1S/C20H32O5/c1-17-6-3-7-18(2,16(23)24)14(17)8-15(22)19-9-12(4-5-13(17)19)20(25,10-19)11-21/h12-15,21-22,25H,3-11H2,1-2H3,(H,23,24)/t12-,13+,14+,15+,17+,18-,19-,20+/m1/s1
SMILES CC1(C(=O)O)CCCC2(C)C1CC(O)C13CC(CCC21)C(O)(CO)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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