input word = C00050865

Metabolite InformationStructural formula
Name Isoanthricin
Formula C22H22O7
Mw 398.13655306
CAS RN 69222-20-4
C_ID C00050865
InChIKey ZGLXUQQMLLIKAN-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3
SMILES COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnthriscus sylvestris Ref.
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