input word = C00054201

Metabolite InformationStructural formula
Name Chlorohydrin
Formula C13H9ClO
Mw 216.03419262
CAS RN 71866-99-4
C_ID C00054201
InChIKey CNSJKANOICWJLC-CMDGGOBGSA-N
InChICode InChI=1S/C11H9ClO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h8-9,11,13H,10H2,1H3/b9-8+
SMILES CC#CC#CC#C/C=C/C(Cl)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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OrganismCarthamus tinctorius
ReferenceBohlmann, F. et al., Chem. Ber., 1961, 94, 3179

1962, 95, 2939

1964, 97, 809

1966, 99, 3433 (isol, struct, synth, biosynth)