| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:17 UTC |
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| Update Date | 2025-03-21 18:02:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041580 |
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| Frequency | 82.5 |
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| Structure | |
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| Chemical Formula | C8H5NO3 |
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| Molecular Mass | 163.0269 |
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| SMILES | N#Cc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | XUNYRQCTAPBWCF-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzonitrilesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | nitrilecarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrilebenzonitrilearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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