Showing metabocard for Crustinic acid (MMDBc0005358)
Microbial
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-14 22:58:37 UTC | ||||||||||||
| Update Date | 2022-08-12 19:57:35 UTC | ||||||||||||
| Metabolite ID | MMDBc0005358 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Crustinic acid | ||||||||||||
| Description | 3-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoyloxy]-4,6-dihydroxy-2-methylbenzoic 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). 3-[4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoyloxy]-4,6-dihydroxy-2-methylbenzoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C24H20O11 | ||||||||||||
| Average Mass | 484.413 | ||||||||||||
| Monoisotopic Mass | 484.100561464 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C24H20O11/c1-9-4-12(25)6-14(26)18(9)23(32)34-13-5-10(2)19(15(27)7-13)24(33)35-21-11(3)20(22(30)31)16(28)8-17(21)29/h4-8,25-29H,1-3H3,(H,30,31) | ||||||||||||
| InChI Key | PXEWPVIKVBSHLU-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 | ||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways |
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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 | 102318064 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 144221 | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| References | |||||||||||||
| Synthesis Reference | Not Available | ||||||||||||
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