ChEBI
  Marvin  05091117112D          

 28 32  0  0  1  0            999 V2000
    6.9805   -5.6541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2659   -5.2418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2659   -4.4264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9805   -4.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8206   -4.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5352   -4.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5352   -5.2418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3702   -6.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2709   -6.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6859   -4.4264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8206   -5.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6859   -5.2418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1060   -4.4264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4005   -5.6541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1060   -5.2418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6859   -6.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5336   -5.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9831   -6.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4029   -6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1323   -6.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6758   -6.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8670   -6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1132   -3.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878   -3.6197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7588   -4.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354   -4.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337   -4.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4116   -5.3334    0.0000 O   0  0  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
  2 17  1  1  0  0  0
  1 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 14 19  1  1  0  0  0
 22  8  2  0  0  0  0
 13 23  1  1  0  0  0
 10 24  1  6  0  0  0
  1 25  1  6  0  0  0
 26 25  2  0  0  0  0
 25 24  1  0  0  0  0
  4 10  1  0  0  0  0
  3 27  1  1  0  0  0
  7 28  1  6  0  0  0
M  END
> <ID>
CHEBI:28861

> <NAME>
gibberellin A8

> <DEFINITION>
A C19-gibberellin, initially identified in Phaseolus coccineus. It differs from gibberellin A1 in the presence of an extra β-OH group at C-3 (gibbane numbering).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19479; CHEBI:11666; CHEBI:1315

> <SYNONYM>
Gibberellin A8; gibberellin 8; GA8; 3beta-hydroxygibberellin A1; 2beta-Hydroxygibberellin 1; 2beta-Hydroxygibberellin 1

> <IUPAC_NAME>
2beta,3beta,7alpha-trihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid; (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid

> <FORMULA>
C19H24O7

> <MASS>
364.38970

> <MONOISOTOPIC_MASS>
364.15220

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)[C@@H](O)C[C@@]21OC3=O

> <INCHI>
InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1

> <INCHIKEY>
WZRRJZYYGOOHRC-UQJCXHNCSA-N

> <CAS_REGISTRY_NUMBER>
7044-72-6

> <REAXYS_REGISTRY_NUMBER>
8809026

> <CHEMIDPLUS>
7044-72-6

> <KEGG_COMPOUND_ACCESSION>
C03579

> <KNAPSACK_ACCESSION>
C00000008

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0104170005

> <PUBMED_CITATION>
22235902; 24100624; 24232845; 24442496

$$$$