| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:04 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO4 |
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| Molecular Mass | 243.0532 |
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| SMILES | O=C(Oc1ccccc1C(=O)O)c1cccnc1 |
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| InChI Key | NAKABSUZLYLPNN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspyridine-3-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinebenzoic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterphenol esterpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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