ChEBI
  Marvin  05091117002D          

 26 30  0  0  1  0            999 V2000
    7.6532   -6.7592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9386   -6.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386   -5.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532   -5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933   -5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2079   -5.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2079   -6.3470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0429   -7.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9435   -7.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3586   -5.5316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4933   -6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3586   -6.3470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7787   -5.5316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0732   -6.7592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7787   -6.3470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3586   -7.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6558   -7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0756   -7.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8050   -8.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484   -8.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5397   -7.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7859   -4.7488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3605   -4.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0081   -6.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8360   -6.5347    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
  1 17  1  0  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
  1 24  1  6  0  0  0
 25 24  2  0  0  0  0
 24 23  1  0  0  0  0
  4 10  1  0  0  0  0
  7 26  1  6  0  0  0
M  END
> <ID>
CHEBI:27742

> <NAME>
gibberellin A20

> <DEFINITION>
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking an OH group at C-2 (gibbane numbering).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14307; CHEBI:5345; CHEBI:24239

> <SYNONYM>
Gibberellin A20; Gibberellin 20; Gibberellin 20; GA20

> <IUPAC_NAME>
7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid; (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-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>
C19H24O5

> <MASS>
332.39090

> <MONOISOTOPIC_MASS>
332.16237

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

> <INCHI>
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1

> <INCHIKEY>
OXFPYCSNYOFUCH-KQBHUUJHSA-N

> <CAS_REGISTRY_NUMBER>
19143-87-4

> <REAXYS_REGISTRY_NUMBER>
8732051

> <CHEMIDPLUS>
19143-87-4

> <KEGG_COMPOUND_ACCESSION>
C02035

> <KNAPSACK_ACCESSION>
C00000020

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0104170004

> <PUBMED_CITATION>
24100624; 24232845; 24458818; 24858937

$$$$