KEGG   COMPOUND: C07090
Entry
C07090                      Compound                               

Name
Protoanemonin;
4-Methylenebut-2-en-4-olide;
cis-4-Methylenebut-2-en-4-olide
Formula
C5H4O2
Exact mass
96.0211
Mol weight
96.0841
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.5.1.1
Brite
Phytochemical compounds [BR:br08003]
 Others
  Others
   Others
    C07090  Protoanemonin
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Others
    C07090  Protoanemonin
Other DBs
CAS: 108-28-1
PubChem: 9301
ChEBI: 28906
KNApSAcK: C00000301
3DMET: B01062
NIKKAJI: J10.112E
KCF data

ATOM        7
            1   C2y C    27.7068  -16.7298
            2   O7x O    28.8400  -15.9062
            3   C2x C    28.1391  -18.0614
            4   C2a C    26.3752  -16.3034
            5   C7x C    29.9732  -16.7298
            6   C2x C    29.5409  -18.0614
            7   O6a O    31.3048  -16.3034
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     5   6 1

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