| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:54 UTC |
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| Update Date | 2025-03-21 18:35:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107684 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C11H15N2O9P |
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| Molecular Mass | 350.0515 |
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| SMILES | NC(=O)c1ccc(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | SSMQYTDSEYUMGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonosaccharidesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativespyridinonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundpentose phosphatenicotinamidepentose-5-phosphatecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativealkyl phosphate |
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