Showing metabocard for 8-acetylneosolaniol (MMDBc0007566)
Microbial
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| Version | 1.0 | |||||||||||||||
| Status | Detected and Quantified | |||||||||||||||
| Creation Date | 2021-05-15 00:42:26 UTC | |||||||||||||||
| Update Date | 2022-08-12 19:57:57 UTC | |||||||||||||||
| Metabolite ID | MMDBc0007566 | |||||||||||||||
| Metabolite Identification | ||||||||||||||||
| Common Name | 8-acetylneosolaniol | |||||||||||||||
| Description | 8-Acetylneosolaniol, also known as neosolaniol, belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Based on a literature review very few articles have been published on 8-Acetylneosolaniol. | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms |
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| Molecular Formula | C21H28O9 | |||||||||||||||
| Average Mass | 424.446 | |||||||||||||||
| Monoisotopic Mass | 424.173332482 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | Not Available | |||||||||||||||
| InChI Identifier | InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/m0/s1 | |||||||||||||||
| InChI Key | BIQPSTSCCIEMEI-HXZSLLSJSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||
| Class | Prenol lipids | |||||||||||||||
| Sub Class | Sesquiterpenoids | |||||||||||||||
| Direct Parent | Trichothecenes | |||||||||||||||
| Alternative Parents | ||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Functional Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Expected Solid | |||||||||||||||
| Predicted Properties | Not Available | |||||||||||||||
| Spectra | ||||||||||||||||
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| 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 | ||||||||||||||||
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| Pathways |
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| 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
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| Health Effects and Bioactivity | ||||||||||||||||
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| Microbial Sources | ||||||||||||||||
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| Host Biospecimen and Location | ||||||||||||||||
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| 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 | 20087455 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 13879996 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||
| CMMC Knowledgebase | Not Available | |||||||||||||||
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