input word = C00059233

Metabolite InformationStructural formula
Name Paniculin
Formula C15H16O5
Mw 276.09977362
CAS RN 112397-12-3
C_ID C00059233
InChIKey ZQUZRUKMDMKRRB-UHFFFAOYSA-N
InChICode InChI=1S/C15H16O5/c1-15(2,14(17)18)8-10-11(19-3)6-4-9-5-7-12(16)20-13(9)10/h4-7H,8H2,1-3H3,(H,17,18)
SMILES COc1ccc2ccc(=O)oc2c1CC(C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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