| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:13 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118158 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C12H13N3O6 |
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| Molecular Mass | 295.0804 |
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| SMILES | O=c1ccc2ncn(C3OC(CO)C(O)C3O)c2c(=O)[nH]1 |
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| InChI Key | JMBFZYWWUZTVGU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcohollactamazacycletetrahydrofuranheteroaromatic compoundmonosaccharideoxacyclesaccharideorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compoundazolen-substituted imidazole |
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