Showing metabocard for 3,5-Dichloro-2'-O-methylanziaic acid (MMDBc0012766)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 04:13:56 UTC | ||||||||||||
| Update Date | 2022-08-12 19:59:15 UTC | ||||||||||||
| Metabolite ID | MMDBc0012766 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 3,5-Dichloro-2'-O-methylanziaic acid | ||||||||||||
| Description | 4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). 4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
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| Molecular Formula | C25H30Cl2O7 | ||||||||||||
| Average Mass | 513.41 | ||||||||||||
| Monoisotopic Mass | 512.1368587 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C25H30Cl2O7/c1-4-6-8-10-14-12-15(13-17(33-3)18(14)24(30)31)34-25(32)19-16(11-9-7-5-2)20(26)23(29)21(27)22(19)28/h12-13,28-29H,4-11H2,1-3H3,(H,30,31) | ||||||||||||
| InChI Key | IDRJMRKONACJDM-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||||||
| Class | Depsides and depsidones | ||||||||||||
| Sub Class | Not Available | ||||||||||||
| Direct Parent | Depsides and depsidones | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways | This table shows at most 5 pathways. For the full list of associated pathways: See All Associated Bacterial Pathways
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Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
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| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | Not Available | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 602882 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 144146 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||
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