(2E,11Z)-Wyerone acid
PubChem CID: 131751103
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| Compound Synonyms | (2E,11Z)-Wyerone acid, CHEBI:174257, (Z)-3-[5-[(Z)-hept-4-en-2-ynoyl]uran-2-yl]prop-2-enoic acid |
|---|---|
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZLZFXXJOALTVDA-YHOGECKDSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3-[5-(1-Oxo-4-hepten-2-ynyl)-2-furanyl]-2-propenoic acid, 9CI, 4,7-Epoxy-8-oxo-2,4,6,11-tetradecatetraen-9-ynoic acid |
| Heavy Atom Count | 18.0 |
| Compound Name | (2E,11Z)-Wyerone acid |
| Description | Isolated from broad bean leaves (Vicia faba) infected with Botrytis subspecies (2E,11Z)-Wyerone acid is found in pulses. |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8- |
| Smiles | CC/C=C\C#CC(=O)C1=CC=C(O1)/C=C\C(=O)O |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C14H12O4 |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all