| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:56 UTC |
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| Update Date | 2025-03-21 18:37:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115060 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C8H10NO3+ |
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| Molecular Mass | 168.0655 |
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| SMILES | C[n+]1cccc(C(O)C(=O)O)c1 |
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| InChI Key | IYYWPSCWSZZFRV-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 | methylpyridines |
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| Direct Parent | n-methylpyridinium compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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