4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
PubChem CID: 14833714
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| Compound Synonyms | CHEBI:175848, 4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 145.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | AASAENAURCLYSI-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA32, Gibberellin A32 |
| Heavy Atom Count | 27.0 |
| Compound Name | 4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid |
| Description | obtained from immature seeds of Prunus persica (peaches). Gibberellin A32 is found in many foods, some of which are apricot, peach, sour cherry, and sweet cherry. |
| Exact Mass | 378.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 836.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 378.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H22O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h3-4,8-13,20-22,26H,1,5-6H2,2H3,(H,23,24) |
| Smiles | CC12C(C=CC3(C1C(C45C3CC(C(C4)(C(=C)C5O)O)O)C(=O)O)OC2=O)O |
| Xlogp | -1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H22O8 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all