| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:17 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5NO4 |
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| Molecular Mass | 191.0219 |
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| SMILES | N#Cc1ccc(C(=O)O)cc1C(=O)O |
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| InChI Key | IXTIYBOLFNSEFO-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzonitrilesbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acidbenzoylcarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundmeta_phthalic_acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidcarbonitrileorganooxygen compound |
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