| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:53 UTC |
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| Update Date | 2025-03-21 18:32:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092919 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C8H7ClO3 |
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| Molecular Mass | 186.0084 |
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| SMILES | COc1ccc(Cl)c(C(=O)O)c1 |
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| InChI Key | AQHFCRYZABKUEV-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-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsalkyl aryl ethersanisolesaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundsvinylogous halides |
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| Substituents | phenol ether2-halobenzoic acidethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesmethoxybenzenevinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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