| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:50 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061809 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C9H7ClO5 |
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| Molecular Mass | 229.9982 |
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| SMILES | O=C(O)COc1ccc(Cl)cc1C(=O)O |
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| InChI Key | WXOXOMZXUQKTBM-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 | phenoxyacetic acid derivatives |
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| Direct Parent | chlorophenoxyacetates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundchlorophenoxyacetatedicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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