| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO4 |
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| Molecular Mass | 219.0532 |
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| SMILES | N#CCCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | DKUUKDDUYQFPFQ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidcarbonitrileorganooxygen compound |
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