| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:53 UTC |
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| Update Date | 2025-03-25 00:55:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | CCC(=O)OC(=O)c1cccnc1 |
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| InChI Key | ZKHCIGASAHDCKH-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 | azacyclic compoundscarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundmethylpyridinecarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundcarboxylic acid anhydridedicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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