input word = C00030533

Metabolite InformationStructural formula
Name Isoketochabrolic acid
Formula C18H28O3
Mw 292.20384476
CAS RN 942274-57-9
C_ID C00030533 ,
InChIKey QIMVLWYRLMXOML-JEVJTUMJSA-N
InChICode InChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13-
SMILES CC(=O)CC/C=C(/CC/C=C(/CCC=C(C)C)\C(=O)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabrolii Ref.
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