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CHEBI:133316 - caffeic acid quinone
| Formula | C9H6O4 |
| Net Charge | 0 |
| Average Mass | 178.143 |
| Monoisotopic Mass | 178.02661 |
| SMILES | O=C(O)/C=C/C1=CC(=O)C(=O)C=C1 |
| InChI | InChI=1S/C9H6O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+ |
| InChIKey | QPYQKHOKNCVKGE-DUXPYHPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Glycine max (ncbitaxon:3847) | |||
| - | PubMed (25369450) | ||
| - | MetaboLights (MTBLS117) | ||
| - | MetaboLights (MTBLS118) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| caffeic acid quinone (CHEBI:133316) has functional parent acrylic acid (CHEBI:18308) |
| caffeic acid quinone (CHEBI:133316) has role plant metabolite (CHEBI:76924) |
| caffeic acid quinone (CHEBI:133316) is a 1,2-benzoquinones (CHEBI:132123) |
| caffeic acid quinone (CHEBI:133316) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| IUPAC Name |
|---|
| (2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| 3-(2-propenoic acid)-o-benzoquinone | ChEBI |
| 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)acrylic acid | ChEBI |
| caffeic acid o-quinone | ChEBI |
| caffeoquinone | ChEBI |
| Citations |
|---|