| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:41 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126281 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C8H4ClNO2 |
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| Molecular Mass | 180.9931 |
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| SMILES | N#Cc1cc(C(=O)O)ccc1Cl |
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| InChI Key | FYNLALHBLSJPBQ-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 | halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 4-halobenzoic acidsaryl chloridesbenzoic acidsbenzonitrilesbenzoyl derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidcarbonitrilearyl chloridechlorobenzenehalobenzoic acid4-halobenzoic acidbenzonitrilearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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