input word = C00060721

Metabolite InformationStructural formula
Name (4alpha)-18-Oxo-kauran-17-oic acid, methyl ester
Formula C21H32O3
Mw 332.23514489
CAS RN 205248-48-2
C_ID C00060721
InChIKey BFOXEUCMTIYJAE-ISWMTVFHSA-N
InChICode InChI=1S/C21H32O3/c1-19(13-22)8-4-9-20(2)16(19)7-10-21-11-14(5-6-17(20)21)15(12-21)18(23)24-3/h13-17H,4-12H2,1-3H3/t14-,15+,16-,17+,19+,20-,21+/m1/s1
SMILES COC(=O)C1CC23CCC4C(C)(C=O)CCCC4(C)C2CCC1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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