input word = C00017501

Metabolite InformationStructural formula
Name Calcalal
Formula C15H16O3
Mw 244.10994438
CAS RN 65080-19-5
C_ID C00017501 ,
InChIKey DPPNXGXKFMEGBU-SVGMAFHSNA-N
InChICode InChI=1S/C15H16O3/c1-8-4-3-5-10-12(8)11(6-16)13-9(2)7-18-15(13)14(10)17/h6-8,17H,3-5H2,1-2H3/t8-/m0/s1
SMILES C1C[C@@H](c2c(C1)c(c1c(c2C=O)c(co1)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCacalia delphiniifolia Ref.
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OrganismCacalia delphiniifolia
ReferenceNaya,Chem.Lett.,(1976),73

Naya,Chem.Lett.,(1977),1179