| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:04 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13Cl3O2 |
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| Molecular Mass | 293.9981 |
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| SMILES | CC(C)C(OC(=O)c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | JIQOMLGQZDBLKJ-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | alkyl chlorideorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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