input word = C00061802

Metabolite InformationStructural formula
Name 3-Hexene-2,5-dione
Formula C6H8O2
Mw 112.0524295
CAS RN 4436-75-3
C_ID C00061802
InChIKey OTSKZNVDZOOHRX-UHFFFAOYSA-N
InChICode InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+;InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3;InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3-
SMILES CC(=O)C=CC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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