ChEBI
  Mrv0541 06051411472D          

 12 13  0  0  0  0            999 V2000
    7.8290  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5274  -13.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290  -12.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388  -11.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613  -12.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373  -12.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0684  -13.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445  -11.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220  -12.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840  -12.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9541  -13.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5444  -10.8240    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
  4  3  1  0  0  0  0
  8  3  1  0  0  0  0
  5  4  2  0  0  0  0
 12  4  1  0  0  0  0
  6  5  1  0  0  0  0
 11  6  2  0  0  0  0
 10  7  2  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  CHG  1  12  -1
M  END
> <ID>
CHEBI:77858

> <NAME>
4-hydroxycoumarin(1-)

> <DEFINITION>
An organic anion that is the conjugate base of 4-hydroxycoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

> <STAR>
3

> <SYNONYM>
4-oxidocoumarin(1-); 4-hydroxycoumarin

> <IUPAC_NAME>
2-oxo-2H-chromen-4-olate

> <FORMULA>
C9H5O3

> <MASS>
161.13470

> <MONOISOTOPIC_MASS>
161.02442

> <CHARGE>
-1

> <SMILES>
[O-]c1cc(=O)oc2ccccc12

> <INCHI>
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H/p-1

> <INCHIKEY>
VXIXUWQIVKSKSA-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
4418505

> <METACYC_ACCESSION>
CPD-12111

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