| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:27 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6Cl2O3 |
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| Molecular Mass | 219.9694 |
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| SMILES | COC(=O)c1ccc(Cl)c(Cl)c1O |
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| InChI Key | BXVBZAABNSEZIH-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acids and derivatives4-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmethyl estersmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | 3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxidemethyl ester1,2-dichlorobenzenearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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