Agn-PC-0892H2
PubChem CID: 5253705
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| Compound Synonyms | 6917-69-7, AGN-PC-0892H2, DTXSID10413501 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZCTUNYRXJKLWPY-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Gibberellin A12 7-aldehyde, Gibberellin A12 aldehyde |
| Heavy Atom Count | 23.0 |
| Compound Name | Agn-PC-0892H2 |
| Description | Constituent of Phaseolus subspecies, Pisum sativum (peas) and other plant subspecies Gibberellin A12 7-aldehyde is found in many foods, some of which are japanese pumpkin, pulses, common pea, and winter squash. |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.204 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23) |
| Smiles | CC12CCCC(C1C(C34C2CCC(C3)C(=C)C4)C=O)(C)C(=O)O |
| Xlogp | 3.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H28O3 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Maxima (Plant) Rel Props:Source_db:fooddb_chem_all