| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:34:33 UTC |
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| Update Date | 2025-03-21 17:56:39 UTC |
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| HMDB ID | HMDB0000875 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002760 |
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| Name | Trigonelline |
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| Frequency | 2167.3 |
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| Structure | |
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| Chemical Formula | C7H8NO2+ |
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| Molecular Mass | 138.055 |
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| SMILES | C[n+]1cccc(C(=O)O)c1 |
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| InChI Key | WWNNZCOKKKDOPX-UHFFFAOYSA-O |
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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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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