| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183602 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O8 |
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| Molecular Mass | 340.0907 |
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| SMILES | O=C1Nc2ccccc2NC1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | SLGRNCXIDRDUGT-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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