CID 14160509
PubChem CID: 14160509
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| Compound Synonyms | Gibberellin A72, 105593-21-3, 5,7,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid, FEA59321 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | SISDKGXXRJQNSE-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA72, Gibberellin A72 |
| Heavy Atom Count | 26.0 |
| Compound Name | CID 14160509 |
| Description | Isolated from seeds of Helianthus annuus (sunflower). Gibberellin A72 is found in sunflower and fats and oils. |
| Exact Mass | 364.152 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 364.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 763.0 |
| 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 | 5,7,12-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 | 9.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)5-3-9(18)19-6-4-10(20)16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23) |
| Smiles | CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5O)O)C(=O)O)OC2=O)O |
| Xlogp | -0.9 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H24O7 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all