| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:32 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO7 |
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| Molecular Mass | 271.0692 |
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| SMILES | O=[N+]([O-])c1ccc(OC2OC(CO)C(O)C2O)cc1 |
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| InChI Key | DUYYBTBDYZXISX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalshydrocarbon derivativesmonosaccharidesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol etheraromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundmonosaccharideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxideacetalc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumprimary alcoholorganoheterocyclic compoundnitrobenzenenitroaromatic compoundalcoholtetrahydrofuranorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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