input word = C00019934

Metabolite InformationStructural formula
Name Isobyakangelicin angelate
Formula C22H24O8
Mw 416.14711774
CAS RN 116988-91-1
C_ID C00019934 ,
InChIKey VTMREZQNDKWTII-SDQBBNPINA-N
InChICode InChI=1S/C22H24O8/c1-6-12(2)21(24)29-15(22(3,4)25)11-28-17-13-7-8-16(23)30-19(13)20(26-5)18-14(17)9-10-27-18/h6-10,15,25H,11H2,1-5H3/b12-6-/t15-/m0/s1
SMILES C/C=C(/C)C(=O)OC(COc1c2ccoc2c(OC)c2oc(=O)ccc12)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum palustre Ref.
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