| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:00 UTC |
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| Update Date | 2025-03-21 18:40:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131815 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C11H14N2O7 |
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| Molecular Mass | 286.0801 |
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| SMILES | Nc1c(C(=O)O)c(=O)ccn1C1OC(CO)C(O)C1O |
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| InChI Key | IVFUTLCEIQULEK-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinemonosaccharidecyclic ketonecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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