Ketcher 08301715062D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   -1.7435    1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2579    0.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436    1.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0365    2.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4507    2.4357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  1  7  1  0     0  0
  2  8  1  0     0  0
  4  9  2  0     0  0
  9 10  1  0     0  0
M  END
> <ID>
CHEBI:137994

> <NAME>
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone

> <DEFINITION>
A member of the class of furans that is (2E)-2-ethylidenefuran-3(2H)-one carrying additional hydroxy and methyl substituents at positions 4 and 5 respectively.

> <STAR>
3

> <SYNONYM>
(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one

> <IUPAC_NAME>
(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one

> <FORMULA>
C7H8O3

> <MASS>
140.137

> <MONOISOTOPIC_MASS>
140.04734

> <CHARGE>
0

> <SMILES>
C1(=C(O/C(/C1=O)=C/C)C)O

> <INCHI>
InChI=1S/C7H8O3/c1-3-5-7(9)6(8)4(2)10-5/h3,8H,1-2H3/b5-3+

> <INCHIKEY>
CWXWDRXNERDGHE-HWKANZROSA-N

> <REAXYS_REGISTRY_NUMBER>
15778937

> <METACYC_ACCESSION>
CPD-10206

> <PUBMED_CITATION>
27865643

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