Marvin  08191016502D          

 13 13  0  0  1  0            999 V2000
    6.4549  -18.2064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1694  -17.7939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8839  -19.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694  -19.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549  -19.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839  -18.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694  -16.9689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405  -17.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983  -17.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128  -18.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273  -17.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0273  -16.9689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419  -18.2064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  8  1  1  0  0  0
  2  1  1  0  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  3  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:60088

> <NAME>
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate

> <DEFINITION>
The anion resulting from the removal of a proton from the carboxylic acid group of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.

> <STAR>
3

> <SYNONYM>
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propionate; 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionate

> <IUPAC_NAME>
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate

> <FORMULA>
C9H11O4

> <MASS>
183.18120

> <MONOISOTOPIC_MASS>
183.06628

> <CHARGE>
-1

> <SMILES>
O[C@@H]1C=CC=C(CCC([O-])=O)[C@@H]1O

> <INCHI>
InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/p-1/t7-,9+/m1/s1

> <INCHIKEY>
RKDFGWAXBBGKMR-APPZFPTMSA-M

$$$$