| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:37 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5NO5 |
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| Molecular Mass | 207.0168 |
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| SMILES | N#Cc1cc(C(=O)O)cc(C(=O)O)c1O |
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| InChI Key | VKHILTYOBDFKEB-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 compoundsphenolssalicylic acidsvinylogous acids |
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| Substituents | nitrilecarboxylic acidbenzoylsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrilebenzonitrilehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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