Gibberellin A79
PubChem CID: 85366860
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| Compound Synonyms | Gibberellin A79, Compound NP-020190, CHEBI:175665, AKOS040738081, NCGC00385929-01, 12,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | PVXFGQIIGNNJHW-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA79, Gibberellin A79 |
| Heavy Atom Count | 26.0 |
| Compound Name | Gibberellin A79 |
| Description | Constituent of Triticum aestivum (wheat). Gibberellin A79 is found in wheat, cereals and cereal products, and common wheat. |
| Exact Mass | 364.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 748.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 364.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,13,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H24O7/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(23)24)17(2,16(25)26-19)13(21)11(20)14(19)22/h8-14,20-22H,1,3-6H2,2H3,(H,23,24) |
| Smiles | CC12C3C(C45CC(CCC4C3(C(C(C1O)O)O)OC2=O)C(=C)C5)C(=O)O |
| Xlogp | -0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H24O7 |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all