Annuionone A
PubChem CID: 72828705
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| Compound Synonyms | Annuionone A, (+)-Annuionone A, 5,13-Epoxy-3,9-megastigmanedione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WFJIRKYCKBTOGT-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (+)-Annuionone A, 5,13-Epoxy-3,9-megastigmanedione, Annuionone A |
| Heavy Atom Count | 16.0 |
| Compound Name | Annuionone A |
| Description | Constituent of Helianthus annuus (sunflower). Annuionone A is found in sunflower and fats and oils. |
| Exact Mass | 224.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.141 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 224.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyl-8-(3-oxobutyl)-6-oxabicyclo[3.2.1]octan-3-one |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H20O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h11H,4-8H2,1-3H3 |
| Smiles | CC(=O)CCC1C2(CC(=O)CC1(OC2)C)C |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H20O3 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all