input word = C00007118

Metabolite InformationStructural formula
Name Melafolone
Formula C22H24O7
Mw 400.15220312
CAS RN 129724-42-1
C_ID C00007118 ,
InChIKey BICSVVFMOSJUCU-VAWYXSNFNA-N
InChICode InChI=1S/C22H24O7/c1-5-13(2)22(26)29-21-18(25)20(28-4)17(24)16(19(21)27-3)15(23)12-11-14-9-7-6-8-10-14/h6-13,24-25H,5H2,1-4H3/b12-11+/t13-/m0/s1
SMILES CCC(C)C(=O)Oc1c(O)c(OC)c(O)c(C(=O)/C=C/c2ccccc2)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum lapathifolium Ref.
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