input word = C00059235

Metabolite InformationStructural formula
Name Coumurrin
Formula C16H18O6
Mw 306.11033831
CAS RN 112457-36-0
C_ID C00059235
InChIKey MOZZYMSFJXKGGA-CYBMUJFWSA-N
InChICode InChI=1S/C16H18O6/c1-16(2,19)13(21-9-17)8-11-12(20-3)6-4-10-5-7-14(18)22-15(10)11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
SMILES COc1ccc2ccc(=O)oc2c1CC(OC=O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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