EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:80520 - 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
| Formula | C7H7FO4 |
| Net Charge | 0 |
| Average Mass | 174.127 |
| Monoisotopic Mass | 174.03284 |
| SMILES | O=C(O)[C@@]1(O)C=CC=C(F)[C@@H]1O |
| InChI | InChI=1S/C7H7FO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1 |
| InChIKey | QDUOLNJDJPSHJC-CAHLUQPWSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80520) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80520) is a cyclohexadienecarboxylic acid (CHEBI:23468) |
| 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80520) is a cyclohexadienediol (CHEBI:23469) |
| Manual Xrefs | Databases |
|---|---|
| C16478 | KEGG COMPOUND |