| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5Cl3O4 |
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| Molecular Mass | 281.9253 |
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| SMILES | O=C(OC(=O)C(Cl)(Cl)Cl)c1ccccc1O |
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| InChI Key | TVQTVDILNJXVLD-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl chloridesalpha-halocarboxylic acid derivativesbenzoic acids and derivativesbenzoyl derivativesbenzyloxycarbonylscarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesvinylogous acids |
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| Substituents | benzyloxycarbonylalpha-halocarboxylic acid or derivativescarbonyl groupalkyl chlorideorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halide1-hydroxy-4-unsubstituted benzenoidalpha-halocarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid anhydridedicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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