| CID | 14 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 469 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 13 |
| pubchem_cactvs_subskeys | AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIAKDSCAAAAAAgAAAICAEAAEgAEBYAAQAAQAAE4AAIAYOKyOCOgAAAAAAAAAAAAAAAAAAAAIAADAAAAA== |
| pubchem_iupac_openeye_name | 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid |
| pubchem_iupac_cas_name | 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid |
| pubchem_iupac_systematic_name | 7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid |
| pubchem_iupac_traditional_name | 7-[3-hydroxy-5-keto-2-(3-ketooct-1-enyl)cyclopentyl]enanthic acid |
| pubchem_nist_inchi | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 352.224974 |
| pubchem_molecular_formula | C20H32O5 |
| pubchem_molecular_weight | 352.46508 |
| pubchem_openeye_can_smiles | CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O |
| pubchem_openeye_iso_smiles | CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O |
| pubchem_cactvs_tpsa | 91.7 |
| pubchem_monoisotopic_weight | 352.224974 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 25 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 3 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 1 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 21 |
| pubchem_bondannotations | 13 16 1
6 26 3
7 27 3
8 28 3 |
