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 CC1=CC(C/C(C)=C/COc2c3occc3cc3ccc(=O)oc23)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena anisata Ref.
PlantaeRutaceaeClausena lansium Ref.
zoom in