ChEBI
  Marvin  05101114102D          

 27 32  0  0  1  0            999 V2000
    9.9746   -9.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2600   -9.2152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2600   -8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9746   -7.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8147   -7.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5293   -8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5293   -9.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3643  -10.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2649  -10.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6800   -8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8147   -9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6800   -9.2152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1001   -8.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3946   -9.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1001   -9.2152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6800  -10.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4796   -8.8744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9772  -10.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3970  -10.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1264  -10.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698  -10.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8611  -10.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1073   -7.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6819   -7.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7529   -8.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3295   -8.8744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3336   -9.2268    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
  7 27  1  6  0  0  0
  3 17  1  1  0  0  0
M  END
> <ID>
CHEBI:29602

> <NAME>
gibberellin A6

> <DEFINITION>
A C19-gibberellin, initially identified in Phaseolus coccineus and differing from gibberellin A1 by the conversion of the OH at C-2 (gibbane numbering) into an epoxide across C-2 and C-3.

> <STAR>
3

> <SYNONYM>
Gibberellin A6; GA6; ent-2alpha,3alpha-epoxy-13-hydroxy-20-norgibberell-16-en-19-oic acid 19,10-lactone

> <IUPAC_NAME>
2beta,3beta-epoxy-7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid; (1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1(5,8).0(1,10).0(2,8).0(12,14)]octadecane-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]4O[C@H]4C[C@@]21OC3=O

> <INCHI>
InChI=1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1

> <INCHIKEY>
XNBWKKYPKJHUKD-UQJCXHNCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4335073

> <CAS_REGISTRY_NUMBER>
19147-78-5

> <REAXYS_REGISTRY_NUMBER>
4335073

> <KEGG_COMPOUND_ACCESSION>
C11856

> <KNAPSACK_ACCESSION>
C00000006

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0104170013

> <PUBMED_CITATION>
24232845

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