Ketcher 06241915032D 1   1.00000     0.00000     0

 28 31  0     1  0            999 V2000
    8.9060  -15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0692  -14.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0692  -13.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060  -13.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2319  -13.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0687  -13.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0687  -14.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8756  -15.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5882  -15.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7322  -13.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2319  -15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7322  -14.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3951  -13.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5690  -15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3951  -14.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7322  -15.7713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1717  -16.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5717  -16.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4259  -16.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7202  -16.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4574  -16.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4036  -12.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7344  -12.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542  -15.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562  -16.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2004  -15.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0349  -14.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241  -12.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 10  1  0     0  0
 12 10  1  0     0  0
  1 12  1  0     0  0
 14 12  1  0     0  0
 12 16  1  1     0  0
  3  4  1  0     0  0
  2  1  1  0     0  0
  2  3  1  0     0  0
  5 13  1  0     0  0
 15 13  1  0     0  0
 15 14  1  0     0  0
 15 11  1  6     0  0
 15  9  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  7 11  1  6     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  1 17  1  1     0  0
 19 18  2  0     0  0
 20 18  1  0     0  0
 14 18  1  1     0  0
 21  8  2  0     0  0
 13 22  1  1     0  0
 10 23  1  6     0  0
  4 10  1  0     0  0
 25 24  2  0     0  0
 26 24  1  0     0  0
  1 24  1  6     0  0
  7 27  1  6     0  0
 23 28  1  0     0  0
M  CHG  2  20  -1  26  -1
M  END
> <ID>
CHEBI:143955

> <NAME>
gibberellin A44 (2-) (diacid form)

> <DEFINITION>
A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A44 (diacid form).

> <STAR>
2

> <SYNONYM>
gibberellin A44

> <FORMULA>
C20H26O6

> <MASS>
362.423

> <MONOISOTOPIC_MASS>
362.17404

> <CHARGE>
-2

> <SMILES>
[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(CO)CCC1)[H])(C)C(=O)[O-]

> <INCHI>
InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/p-2/t12-,13+,14+,17+,18+,19-,20-/m0/s1

> <INCHIKEY>
AXEUUXHMKSPQAI-YTJHIPEWSA-L

> <METACYC_ACCESSION>
CPD-10332

$$$$