input word = C00019997

Metabolite InformationStructural formula
Name Peucedanocoumarin I
Formula C21H24O7
Mw 388.15220312
CAS RN 130464-55-0
C_ID C00019997 ,
InChIKey GVBNSPFBYXGREE-HVPXUYLQNA-N
InChICode InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18+,19-/m0/s1
SMILES c1(=O)ccc2c(o1)c1c(cc2)OC([C@H]([C@@H]1OC(=O)C)OC(=O)[C@@H](C)CC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum praeruptorum Ref.
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OrganismPeucedanum praeruptorum
ReferenceTakata,Planta. Med.,56,(1990),307