| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:47 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152970 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N2O9+ |
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| Molecular Mass | 373.1242 |
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| SMILES | NC(=O)c1ccc[n+](C2C(O)CC(O)(C(=O)O)OC2C(O)C(O)CO)c1 |
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| InChI Key | AAHRXQGNGACMJR-UHFFFAOYSA-O |
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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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidespyran carboxylic acidspyridinecarboxylic acids and derivativessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamidealpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalorganic cationoxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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