input word = C00055134

Metabolite InformationStructural formula
Name Clausenacoumarin
Formula C21H18O6
Mw 366.11033831
CAS RN 87838-97-9
C_ID C00055134
InChIKey XVVBVBKVMMNZHB-LFYBBSHMSA-N
InChICode InChI=1S/C21H18O6/c1-12(9-16-10-13(2)21(23)26-16)5-7-25-20-18-15(6-8-24-18)11-14-3-4-17(22)27-19(14)20/h3-6,8,10-11,16H,7,9H2,1-2H3/b12-5+
SMILES C/C(CC(O1)C=C(C1=O)C)=CCOC2=C3C(C=CC(O3)=O)=CC4=C2OC=C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena anisata Ref.
PlantaeRutaceaeClausena lansium Ref.
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