| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:20 UTC |
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| Update Date | 2025-03-21 18:31:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086872 |
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| Frequency | 32.8 |
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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=c1ccc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | DLZILNSKPBEJNU-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 alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactammonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundazepinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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