input word = C00011718

Metabolite InformationStructural formula
Name Ageratriol
Formula C15H24O3
Mw 252.17254463
CAS RN 38022-97-8
C_ID C00011718 ,
InChIKey QVMGKSVFLSTTEO-NXANOWHXNA-N
InChICode InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14+,15-/m0/s1
SMILES C1(=C)[C@@H](CCC(=C)[C@@H](C[C@@H](C[C@@H]1O)C(=C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea ageratum Ref.
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