Gibberellin A99
PubChem CID: 85362822
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| Compound Synonyms | Gibberellin A99, CHEBI:175856, 8-ormyl-6,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of Spinacia oleracea (spinach). Gibberellin A99 is found in green vegetables and spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 761.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-formyl-6,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | -0.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H26O7 |
| Inchi Key | CUTYINBLQKKDCO-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | GA99, Gibberellin A99 |
| Substituent Name | Gibberellane-6-carboxylic acid, Dicarboxylic acid or derivatives, Tertiary alcohol, Cyclic alcohol, Secondary alcohol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aldehyde, Alcohol, Aliphatic homopolycyclic compound |
| Compound Name | Gibberellin A99 |
| Kingdom | Organic compounds |
| Exact Mass | 378.168 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 378.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H26O7/c1-10-5-18-8-20(10,27)4-3-12(18)19(9-21)7-11(22)6-17(2,16(25)26)14(19)13(18)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26) |
| Smiles | CC1(CC(CC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all