Marvin  02231116072D          

 15 14  0  0  0  0            999 V2000
   14.8705    2.7744    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7187    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1115    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4151    0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5669    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.7795    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4150    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2632    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1113    2.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561   -1.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5669    4.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7187    0.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 15  2  0  0  0  0
  3 12  2  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  7  2  1  0  0  0  0
  7 14  1  0  0  0  0
  6  8  1  0  0  0  0
  9  7  2  0  0  0  0
  4  9  1  0  0  0  0
 10  4  2  0  0  0  0
  3 10  1  0  0  0  0
 11  5  2  0  0  0  0
  3 11  1  0  0  0  0
M  CHG  2   1  -1   8  -1
M  END
> <ID>
CHEBI:61450

> <NAME>
(2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2-)

> <DEFINITION>
A 2-hydroxy-6-oxonona-2,4,7-trienedioate having (2E,4Z,7E)-configuration.

> <STAR>
3

> <SYNONYM>
(2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate dianion; (2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate

> <IUPAC_NAME>
(2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate

> <FORMULA>
C9H6O6

> <MASS>
210.14030

> <MONOISOTOPIC_MASS>
210.01754

> <CHARGE>
-2

> <SMILES>
O\C(=C\C=C/C(=O)/C=C/C([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C9H8O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-5,11H,(H,12,13)(H,14,15)/p-2/b2-1-,5-4+,7-3+

> <INCHIKEY>
WCJYZUFKKTYNLB-PFCALIJCSA-L

> <METACYC_ACCESSION>
CPD0-2184

$$$$