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CHEBI:132247 - (−)-DCA-CL
| Formula | C20H18O7 |
| Net Charge | 0 |
| Average Mass | 370.357 |
| Monoisotopic Mass | 370.10525 |
| SMILES | COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2C=O)ccc1O |
| InChI | InChI=1S/C20H18O7/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/h3-10,14,19,22H,1-2H3,(H,23,24)/b6-3+/t14-,19+/m1/s1 |
| InChIKey | WJCNWNKOLJMKJE-WARYXCEBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sphingobium sp. (ncbitaxon:627192) | - | PubMed (26362985) | Strain: SYK-6 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-DCA-CL (CHEBI:132247) has functional parent trans-ferulic acid (CHEBI:17620) |
| (−)-DCA-CL (CHEBI:132247) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| (−)-DCA-CL (CHEBI:132247) is a 1-benzofurans (CHEBI:38830) |
| (−)-DCA-CL (CHEBI:132247) is a aldehyde (CHEBI:17478) |
| (−)-DCA-CL (CHEBI:132247) is a guaiacols (CHEBI:134251) |
| (−)-DCA-CL (CHEBI:132247) is a lignan (CHEBI:25036) |
| (−)-DCA-CL (CHEBI:132247) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| (−)-DCA-CL (CHEBI:132247) is conjugate acid of (−)-DCA-CL(1−) (CHEBI:131933) |
| (−)-DCA-CL (CHEBI:132247) is enantiomer of (+)-DCA-CL (CHEBI:132251) |
| Incoming Relation(s) |
| (−)-DCA-CL(1−) (CHEBI:131933) is conjugate base of (−)-DCA-CL (CHEBI:132247) |
| (+)-DCA-CL (CHEBI:132251) is enantiomer of (−)-DCA-CL (CHEBI:132247) |
| IUPAC Name |
|---|
| (2E)-3-[(2R,3R)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid |
| Synonym | Source |
|---|---|
| (−)-dehydrodiconiferyl acid aldehyde | MetaCyc |
| Manual Xrefs | Databases |
|---|---|
| CPD-17078 | MetaCyc |
| Citations |
|---|