| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:03 UTC |
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| Update Date | 2025-03-21 18:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031447 |
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| Frequency | 117.1 |
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| Structure | |
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| Chemical Formula | C15H11Cl3O2 |
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| Molecular Mass | 327.9825 |
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| SMILES | O=C(OC(c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 |
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| InChI Key | CDFHHEIBQKAUJL-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 derivativesbenzyloxycarbonylscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | benzyloxycarbonylalkyl chlorideorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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