ChEBI
  Mrv0541 04171411282D          

 20 21  0  0  0  0            999 V2000
    5.8120   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5296   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8120   -2.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827   -5.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4004   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4004   -4.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181   -5.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943   -4.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766   -5.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -4.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766   -2.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413   -5.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8120   -5.1299    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
 12  1  1  0  0  0  0
  3  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 18 13  1  0  0  0  0
 16 14  2  0  0  0  0
 20 14  1  0  0  0  0
 17 15  2  0  0  0  0
 17 16  1  0  0  0  0
 19 17  1  0  0  0  0
M  CHG  1  20  -1
M  END
> <ID>
CHEBI:77645

> <NAME>
2',4,4',6'-tetrahydroxychalcone(1-)

> <DEFINITION>
A phenolate anion that is the conjugate base of 2',4,4',6'-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2',4,4',6'-tetrahydroxychalcone

> <IUPAC_NAME>
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate

> <FORMULA>
C15H11O5

> <MASS>
271.24540

> <MONOISOTOPIC_MASS>
271.06120

> <CHARGE>
-1

> <SMILES>
Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2[O-])cc1

> <INCHI>
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/p-1/b6-3+

> <INCHIKEY>
YQHMWTPYORBCMF-ZZXKWVIFSA-M

$$$$