input word = C00031573

Metabolite InformationStructural formula
Name Agrimonolide
Formula C18H18O5
Mw 314.11542369
CAS RN 21499-24-1
C_ID C00031573 ,
InChIKey TYFJTEPDESMEHE-GGYSOQFKNA-N
InChICode InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1
SMILES c1(cc(c2c(c1)C[C@@H](OC2=O)CCc1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea formosana Ref.
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