input word = C00019865

Metabolite InformationStructural formula
Name (+)-7-(6,7-Epoxy-3,7-dimethyl-5-oxooctanoxy)-coumarin
Formula C19H22O5
Mw 330.14672381
CAS RN 103963-72-0
C_ID C00019865 ,
InChIKey FTHMKILNIWLGQE-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O5/c1-12(10-15(20)18-19(2,3)24-18)8-9-22-14-6-4-13-5-7-17(21)23-16(13)11-14/h4-7,11-12,18H,8-10H2,1-3H3/t12-,18-/m1/s1
SMILES CC(CCOc1ccc2ccc(=O)oc2c1)CC(=O)C1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhebalium squameum Ref.
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OrganismPhebalium squameum
ReferenceBevalot,Phytochem.,27,(1988),1546