| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:29 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO5 |
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| Molecular Mass | 217.9982 |
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| SMILES | COc1cc(C(=O)O)c(Cl)c(O)c1O |
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| InChI Key | QJALYCASWRKUOY-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 compounds1-hydroxy-4-unsubstituted benzenoids2-halobenzoic acids3-chlorocatecholsalkyl aryl ethersanisolesaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesm-chlorophenolsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesphenoxy compoundsvinylogous halides |
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| Substituents | phenol ether2-halobenzoic acidethercarboxylic acidorganochloridemethoxyphenolbenzoylchlorocatecholalkyl aryl ethercarboxylic acid derivativeorganohalogen compound3-chlorocatecholcatecholorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesaryl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenevinylogous halide2-halobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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