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CHEBI:132249 - (−)-DCA-CC
| Formula | C20H18O8 |
| Net Charge | 0 |
| Average Mass | 386.356 |
| Monoisotopic Mass | 386.10017 |
| SMILES | COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2C(=O)O)ccc1O |
| InChI | InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3+/t17-,18+/m1/s1 |
| InChIKey | JTHPLBUVRLOJBB-VCPQXCNPSA-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-CC (CHEBI:132249) has functional parent trans-ferulic acid (CHEBI:17620) |
| (−)-DCA-CC (CHEBI:132249) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| (−)-DCA-CC (CHEBI:132249) is a 1-benzofurans (CHEBI:38830) |
| (−)-DCA-CC (CHEBI:132249) is a dicarboxylic acid (CHEBI:35692) |
| (−)-DCA-CC (CHEBI:132249) is a guaiacols (CHEBI:134251) |
| (−)-DCA-CC (CHEBI:132249) is a lignan (CHEBI:25036) |
| (−)-DCA-CC (CHEBI:132249) is a olefinic compound (CHEBI:78840) |
| (−)-DCA-CC (CHEBI:132249) is conjugate acid of (−)-DCA-CC(2−) (CHEBI:131934) |
| (−)-DCA-CC (CHEBI:132249) is enantiomer of (+)-DCA-CC (CHEBI:132250) |
| Incoming Relation(s) |
| (−)-DCA-CC(2−) (CHEBI:131934) is conjugate base of (−)-DCA-CC (CHEBI:132249) |
| (+)-DCA-CC (CHEBI:132250) is enantiomer of (−)-DCA-CC (CHEBI:132249) |
| IUPAC Name |
|---|
| (2R,3R)-5-[(E)-2-carboxyethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid |
| Synonym | Source |
|---|---|
| (−)-dehydrodiconiferyl acid carboxylate | MetaCyc |
| Manual Xrefs | Databases |
|---|---|
| CPD-17079 | MetaCyc |
| Citations |
|---|