input word = C00050981

Metabolite InformationStructural formula
Name Isoponcimarin
Formula C19H22O5
Mw 330.14672381
CAS RN 59176-65-7
C_ID C00050981
InChIKey GQNWYSYOSQOHAT-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O5/c1-11(2)14(20)9-13-15(22-10-16-19(3,4)24-16)7-5-12-6-8-17(21)23-18(12)13/h5-8,11,16H,9-10H2,1-4H3
SMILES CC(C)C(=O)Cc1c(OCC2OC2(C)C)ccc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePoncirus trifoliata Ref.
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