input word = C00055386

Metabolite InformationStructural formula
Name Achimillic acid B
Formula C15H18O5
Mw 278.11542369
CAS RN 157184-05-9
C_ID C00055386
InChIKey ARZDSTJTDVJYCF-YNAXTPHLSA-N
InChICode InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+/t11-,15-/m1/s1
SMILES O=C1/C([C@@](O)(C)C=C1)=C[C@@H](CCC(C)=O)C(C(O)=O)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea millefolium Ref.
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OrganismAchillea millefolium
ReferenceTozyo, T. et al., Chem. Pharm. Bull., 1994, 42, 1096 (isol, pmr, cmr, cryst struct)