input word = C00022033

Metabolite InformationStructural formula
Name Centipedic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 72943-98-7
C_ID C00022033 ,
InChIKey UKHQJOTZHQQZBX-BAOHTXIFSA-N
InChICode InChI=1S/C20H28O3/c1-16(2)7-4-11-19(20(21)22)12-6-9-17(3)8-5-10-18-13-14-23-15-18/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,21,22)/b17-8+,19-12-
SMILES c1cc(co1)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
PlantaeAsteraceaeCentipeda orbicularis Ref.
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OrganismCentipeda orbicularis
ReferenceBohlmann,Phytochem.,18,(1979),1067