| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:52 UTC |
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| Update Date | 2025-03-21 18:04:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047837 |
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| Frequency | 69.5 |
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| Structure | |
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| Chemical Formula | C15H11Cl3O3 |
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| Molecular Mass | 343.9774 |
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| SMILES | O=C(OC(c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1O |
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| InChI Key | KZDCMUPNSBOTFY-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 derivativesbenzyloxycarbonylscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | benzyloxycarbonylalkyl chlorideorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halide1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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