Annuionone B
PubChem CID: 101417753
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| Compound Synonyms | Annuionone B, (-)-Annuionone B, CHEBI:143059 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | LYMNQFZEIGCRGT-SNAWJCMRSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (-)-Annuionone B, Annuionone B |
| Heavy Atom Count | 16.0 |
| Compound Name | Annuionone B |
| Description | Constituent of Helianthus annuus (sunflower). Annuionone B is found in sunflower and fats and oils. |
| Exact Mass | 222.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 222.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyl-8-[(E)-3-oxobut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+ |
| Smiles | CC(=O)/C=C/C1C2(CC(=O)CC1(OC2)C)C |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C13H18O3 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all