input word = C00011896

Metabolite InformationStructural formula
Name [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Formula C16H24O3
Mw 264.17254463
CAS RN 70329-67-8
C_ID C00011896 ,
InChIKey OJRHQPUPEZWDBF-SOLSVUOLNA-N
InChICode InChI=1S/C16H24O3/c1-11-8-9-14(15(17)10-11)12(2)6-5-7-13(3)16(18)19-4/h7,10,12,14H,5-6,8-9H2,1-4H3/b13-7+/t12-,14+/m1/s1
SMILES C1C[C@H](C(=O)C=C1C)[C@@H](CC/C=C(\C)/C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaeria spp. Ref.
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OrganismBaeria spp.
ReferenceBolmann,Phytochem.,17,(1978),2032