input word = C00056531

Metabolite InformationStructural formula
Name Hexachloroacetone
Formula C3Cl6O
Mw 261.80803088
CAS RN 116-16-5
C_ID C00056531
InChIKey DOJXGHGHTWFZHK-UHFFFAOYSA-N
InChICode InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
SMILES O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeOsmanthus fragrans Ref.
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OrganismOsmanthus fragrans
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 418A (ir)