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CHEBI:91209 - glycosmisic acid
| Formula | C20H20O7 |
| Net Charge | 0 |
| Average Mass | 372.373 |
| Monoisotopic Mass | 372.12090 |
| SMILES | COc1cc(C2Oc3c(OC)cc(/C=C/C(=O)O)cc3C2CO)ccc1O |
| InChI | InChI=1S/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+ |
| InChIKey | FHYQIQMSODIFCP-ZZXKWVIFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | |||
| root (BTO:0001188) | MetaboLights (MTBLS160) | ||
| root (BTO:0001188) | PubMed (25457500) | ||
| Glycosmis citrifolia (ncbitaxon:650008) | - | Article (Zhongguo yao xue za zhi (Zhongguo yao xue hui : 1989) 37, 14-17) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glycosmisic acid (CHEBI:91209) has functional parent trans-ferulic acid (CHEBI:17620) |
| glycosmisic acid (CHEBI:91209) has functional parent coniferol (CHEBI:17745) |
| glycosmisic acid (CHEBI:91209) has role plant metabolite (CHEBI:76924) |
| glycosmisic acid (CHEBI:91209) is a 1-benzofurans (CHEBI:38830) |
| glycosmisic acid (CHEBI:91209) is a guaiacols (CHEBI:134251) |
| glycosmisic acid (CHEBI:91209) is a guaiacyl lignin (CHEBI:64475) |
| glycosmisic acid (CHEBI:91209) is a primary alcohol (CHEBI:15734) |
| glycosmisic acid (CHEBI:91209) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| Incoming Relation(s) |
| glycosmisic acid 4'-sulfate (CHEBI:91211) has functional parent glycosmisic acid (CHEBI:91209) |
| glycosmisic acid sulfate (CHEBI:91212) has functional parent glycosmisic acid (CHEBI:91209) |
| (2R,3S)-glycosmisic acid (CHEBI:132245) is a glycosmisic acid (CHEBI:91209) |
| (2S,3R)-glycosmisic acid (CHEBI:132257) is a glycosmisic acid (CHEBI:91209) |
| IUPAC Name |
|---|
| (2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid |
| Synonym | Source |
|---|---|
| G(8-5)FA | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:26424304 | Reaxys |
| Citations |
|---|