input word = C00062867

Metabolite InformationStructural formula
Name Casegravol
Formula C15H16O5
Mw 276.09977362
CAS RN 74474-76-3
C_ID C00062867
InChIKey XVVRFNCLKCYMPH-BQYQJAHWSA-N
InChICode InChI=1S/C15H16O5/c1-15(18,9-16)8-7-11-12(19-2)5-3-10-4-6-13(17)20-14(10)11/h3-8,16,18H,9H2,1-2H3/b8-7+
SMILES COc1ccc2ccc(=O)oc2c1C=CC(C)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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OrganismMurraya paniculata
Referencehttps://doi.org/10.1248/cpb.35.4277