ChEBI
  Marvin  05091117082D          

 27 31  0  0  1  0            999 V2000
    7.1007   -7.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3861   -6.9316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3861   -6.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1007   -5.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9407   -5.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553   -6.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553   -6.9316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4904   -7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3910   -7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8061   -6.1162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9407   -7.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8061   -6.9316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2261   -6.1162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5207   -7.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2261   -6.9316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8061   -7.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6858   -7.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1112   -8.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5230   -8.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524   -8.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959   -8.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913   -8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4677   -6.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   -5.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   -5.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550   -6.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5116   -6.6308    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  2  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
  9 15  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
  8  7  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
  7 23  1  6  0  0  0
 13 24  1  1  0  0  0
 10 25  1  6  0  0  0
  1 26  1  6  0  0  0
 25 26  1  0  0  0  0
  4 10  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
> <ID>
CHEBI:28833

> <NAME>
gibberellin A3

> <DEFINITION>
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants.  Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5340; CHEBI:24243

> <SYNONYM>
Gibberellinsaeure; Gibberellin A3; gibberellin 3; Gibberellin; Gibberellin; gibberellic acid GA3; gibberellic acid; GA3; GA3; (+)-gibberellic acid

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

> <FORMULA>
C19H22O6

> <MASS>
346.37440

> <MONOISOTOPIC_MASS>
346.14164

> <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=C[C@@]21OC3=O

> <INCHI>
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1

> <INCHIKEY>
IXORZMNAPKEEDV-OBDJNFEBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
54346

> <CAS_REGISTRY_NUMBER>
77-06-5

> <REAXYS_REGISTRY_NUMBER>
54346

> <CHEMIDPLUS>
77-06-5

> <DRUGBANK_ACCESSION>
DB07814

> <KEGG_COMPOUND_ACCESSION>
C01699

> <KNAPSACK_ACCESSION>
C00000003

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0104170002

> <METACYC_ACCESSION>
GIBBERELLIN

> <PDBECHEM_ACCESSION>
GA3

> <WIKIPEDIA_ACCESSION>
Gibberellic_acid

> <AGRICOLA_CITATION>
IND44675921

> <PUBMED_CITATION>
18948165; 19815399; 21216576; 22044348; 22516192; 23076568; 23818834; 23857350; 24232845

$$$$