Gibberellin A113
PubChem CID: 131751323
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| Compound Synonyms | Gibberellin A113, CHEBI:172569, 4-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | ZCRLGANQNRMURE-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA113, Gibberellin A113 |
| Heavy Atom Count | 25.0 |
| Compound Name | Gibberellin A113 |
| Description | Constituent of Raphanus sativus (radish). Gibberellin A113 is found in root vegetables and radish. |
| Exact Mass | 346.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 700.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 346.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H26O5/c1-10-7-20-8-11(10)12(21)6-13(20)19-5-3-4-18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23) |
| Smiles | CC12CCCC3(C1C(C45C3CC(C(C4)C(=C)C5)O)C(=O)O)COC2=O |
| Xlogp | 1.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H26O5 |
- 1. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all