input word = C00020476

Metabolite InformationStructural formula
Name Achillicin
Formula C17H22O5
Mw 306.14672381
CAS RN 71616-00-7
C_ID C00020476 ,
InChIKey ZPTLTKQKVWFFNY-ZEQDBCBXNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3/t9-,12-,14+,15+,17-/m0/s1
SMILES C1(=O)[C@H]([C@H]2[C@H](O1)C1=C(CC=C1[C@](C[C@@H]2OC(=O)C)(O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea collina Ref.
PlantaeAsteraceaeAchillea millefolium Ref.
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