input word = C00011947

Metabolite InformationStructural formula
Name Isocinariolide
(S)-6,7,8,9-Tetrahydro-9-methyl-1-methylene-3-(1-methylethenyl)-2-benzoxepin-5(1H)-one
Formula C15H18O2
Mw 230.13067982
CAS RN 69904-90-1
C_ID C00011947 ,
InChIKey YGEQHWHNGOJSGT-UEQNJFAPNA-N
InChICode InChI=1S/C15H18O2/c1-9(2)14-8-13(16)12-7-5-6-10(3)15(12)11(4)17-14/h8,10H,1,4-7H2,2-3H3/t10-/m0/s1
SMILES C=C(C)C1=CC(=O)C2=C(C(=C)O1)[C@@H](C)CCC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCineraria spp. Ref.
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OrganismCineraria spp.
ReferenceBohlmann,Phytochem.,17,(1978),1629