Showing metabocard for (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-β-aflatrem (MMDBc0008246)
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| Version | 1.0 | |||||||||||||
| Status | Detected and Quantified | |||||||||||||
| Creation Date | 2021-05-15 01:08:26 UTC | |||||||||||||
| Update Date | 2022-08-31 06:28:18 UTC | |||||||||||||
| MiMeDB ID | MMDBc0008246 | |||||||||||||
| Metabolite Identification | ||||||||||||||
| Common Name | (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-β-aflatrem | |||||||||||||
| Description | (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem. | |||||||||||||
| Structure |  | |||||||||||||
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| Chemical Formula | C32H39NO3 | |||||||||||||
| Average Molecular Weight | 485.668 | |||||||||||||
| Monoisotopic Molecular Weight | 485.29299412 | |||||||||||||
| IUPAC Name | Not Available | |||||||||||||
| Traditional Name | Not Available | |||||||||||||
| CAS Registry Number | Not Available | |||||||||||||
| SMILES | Not Available | |||||||||||||
| InChI Identifier | InChI=1S/C32H39NO3/c1-8-28(2,3)18-10-12-24-20(15-18)21-16-19-9-11-22-23-17-25(34)27-29(4,5)36-32(23,35-27)14-13-30(22,6)31(19,7)26(21)33-24/h8,10,12,15,17,19,22,27,33H,1,9,11,13-14,16H2,2-7H3/t19-,22-,27-,30-,31+,32-/m0/s1 | |||||||||||||
| InChI Key | GKYRSDPAEHYGMZ-HVRDIXFZSA-N | |||||||||||||
| Chemical Taxonomy | ||||||||||||||
| Description | Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. | |||||||||||||
| Kingdom | Organic compounds | |||||||||||||
| Super Class | Organoheterocyclic compounds | |||||||||||||
| Class | Naphthopyrans | |||||||||||||
| Sub Class | Not Available | |||||||||||||
| Direct Parent | Naphthopyrans | |||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||
| External Descriptors | Not Available | |||||||||||||
| Functional Ontology | ||||||||||||||
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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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| HMDB ID | Not Available | |||||||||||||
| DrugBank ID | Not Available | |||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||
| FooDB ID | Not Available | |||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||
| Chemspider ID | 34981553 | |||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||
| BioCyc ID | Not Available | |||||||||||||
| BiGG ID | Not Available | |||||||||||||
| Wikipedia Link | Not Available | |||||||||||||
| METLIN ID | Not Available | |||||||||||||
| PubChem Compound | 139585245 | |||||||||||||
| PDB ID | Not Available | |||||||||||||
| ChEBI ID | Not Available | |||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||
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| Synthesis Reference | Not Available | |||||||||||||
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