Showing metabocard for Pinastric acid (MMDBc0005611)
Microbial
| Record Information | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-14 23:08:42 UTC | ||||||||||||
| Update Date | 2022-08-12 19:57:38 UTC | ||||||||||||
| Metabolite ID | MMDBc0005611 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Pinastric acid | ||||||||||||
| Description | Pinastric acid, also known as pinastrate, belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Based on a literature review a small amount of articles have been published on Pinastric acid. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
| ||||||||||||
| Molecular Formula | C20H16O6 | ||||||||||||
| Average Mass | 352.342 | ||||||||||||
| Monoisotopic Mass | 352.094688235 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16+ | ||||||||||||
| InChI Key | KXQKSBAGVQMQSN-FBMGVBCBSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Benzenoids | ||||||||||||
| Class | Phenol ethers | ||||||||||||
| Sub Class | Anisoles | ||||||||||||
| Direct Parent | Anisoles | ||||||||||||
| Alternative Parents | |||||||||||||
| Substituents |
| ||||||||||||
| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
| |||||||||||||
| Chromatographic Retention Times and Retention Indices | |||||||||||||
| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
| Associated OMIM IDs | |||||||||||||
| Human Proteins and Enzymes | |||||||||||||
| |||||||||||||
| Human Pathways | |||||||||||||
| Pathways |
| ||||||||||||
| Microbial Pathways | |||||||||||||
| Pathways | Not Available | ||||||||||||
| Metabolic Reactions | |||||||||||||
Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
| |||||||||||||
| Health Effects and Bioactivity | |||||||||||||
| |||||||||||||
| Microbial Sources | |||||||||||||
| |||||||||||||
| Exposure Sources | |||||||||||||
| Other Exposures |
| ||||||||||||
| Host Biospecimen and Location | |||||||||||||
| |||||||||||||
| External Links | |||||||||||||
| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 20123550 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 54679633 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
| General References | |||||||||||||