Mrv0541 07171412302D          

  8  8  0  0  0  0            999 V2000
    4.8155   -1.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2280   -0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1481   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2676   -1.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8807   -0.9137    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4391   -2.2727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  2  1  1  0  0  0  0
  4  5  2  0  0  0  0
  3  2  2  0  0  0  0
  6  2  1  0  0  0  0
  3  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
M  CHG  1   7  -1
M  END
> <ID>
CHEBI:16739

> <NAME>
2-furoate

> <DEFINITION>
A furancarboxylate that is the conjugate base of 2-furoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11577; CHEBI:19582

> <SYNONYM>
2-furoate

> <IUPAC_NAME>
furan-2-carboxylate

> <FORMULA>
C5H3O3

> <MASS>
111.07610

> <MONOISOTOPIC_MASS>
111.00877

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)c1ccco1

> <INCHI>
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1

> <INCHIKEY>
SMNDYUVBFMFKNZ-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
1366018

> <GMELIN_REGISTRY_NUMBER>
326316

> <KEGG_COMPOUND_ACCESSION>
C01546

$$$$