ChEBI
  Marvin  04071009422D          

 26 29  0  0  1  0            999 V2000
    7.6051  -12.9656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8905  -12.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905  -11.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051  -11.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4452  -11.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598  -11.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1598  -12.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9949  -13.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8955  -13.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3106  -11.7379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4452  -12.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3106  -12.5533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7306  -11.7379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0252  -12.9656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7306  -12.5533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3106  -13.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8320  -13.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0275  -13.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7569  -14.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3004  -14.2132    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4917  -13.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379  -10.9552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -10.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794  -14.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486  -12.9684    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 13 10  1  0  0  0  0
 12 10  1  0  0  0  0
  1 12  1  0  0  0  0
 14 12  1  0  0  0  0
 12 16  1  1  0  0  0
  3  4  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5 13  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  6  0  0  0
 15  9  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 11  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 17  1  1  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 14 18  1  1  0  0  0
 21  8  2  0  0  0  0
 13 22  1  1  0  0  0
 10 23  1  6  0  0  0
  4 10  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
  1 24  1  6  0  0  0
M  CHG  2  20  -1  26  -1
M  END
> <ID>
CHEBI:58627

> <NAME>
gibberellin A12(2-)

> <DEFINITION>
A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12.

> <STAR>
3

> <SYNONYM>
gibberellin A(12)

> <IUPAC_NAME>
1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylate; (1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate

> <FORMULA>
C20H26O4

> <MASS>
330.41800

> <MONOISOTOPIC_MASS>
330.18421

> <CHARGE>
-2

> <SMILES>
[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C([O-])=O

> <INCHI>
InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/p-2/t12-,13+,14-,15+,18+,19-,20+/m1/s1

> <INCHIKEY>
UJFQJDAESQJXTG-UFUZVNNQSA-L

$$$$