| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:09 UTC |
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| Update Date | 2025-03-21 18:03:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043693 |
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| Frequency | 77.7 |
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| Structure | |
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| Chemical Formula | C7H5ClO3 |
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| Molecular Mass | 171.9927 |
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| SMILES | O=C(O)c1ccc(Cl)c(O)c1 |
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| InChI Key | SCPUNJAMWFAYED-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | carboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidebenzoic acidaryl chloride2-chlorophenolchlorobenzenehalobenzoic acid4-halobenzoic acidhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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