input word = C00008309

Metabolite InformationStructural formula
Name Agestricin D
Formula C18H18O7
Mw 346.10525293
CAS RN 85563-76-4
C_ID C00008309 ,
InChIKey CRZFXGCWJNFUCY-UHFFFAOYNA-N
InChICode InChI=1S/C18H18O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)17(21)18(16)24-3/h4-6,8,12,19,21H,7H2,1-3H3/t12-/m0/s1
SMILES COc1cc(C2CC(=O)c3c(cc(OC)c(O)c3OC)O2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum strictum Ref.
PlantaeAsteraceaeChromolaena heteroclinum Ref.
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