| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:34 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9Cl3O4 |
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| Molecular Mass | 297.9566 |
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| SMILES | O=C(OCC(O)C(Cl)(Cl)Cl)c1ccccc1O |
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| InChI Key | WWQGTBKKIMDMBI-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-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl chloridesbenzoyl derivativescarboxylic acid esterschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | chlorohydrinalkyl chlorideorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidealcoholhalohydrin1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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