input word = C00007030

Metabolite InformationStructural formula
Name Agestricin A
Formula C18H16O7
Mw 344.08960287
CAS RN 85563-73-1
C_ID C00007030 ,
InChIKey RAPHKYZKLYRNAR-HWKANZROSA-N
InChICode InChI=1S/C18H16O7/c1-22-15-8-12(20)16(18(23-2)17(15)21)11(19)5-3-10-4-6-13-14(7-10)25-9-24-13/h3-8,20-21H,9H2,1-2H3/b5-3+
SMILES COc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratum strictum Ref.
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