| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:12 UTC |
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| Update Date | 2025-03-21 18:03:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046227 |
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| Frequency | 72.6 |
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| Structure | |
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| Chemical Formula | C16H11Cl3O4 |
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| Molecular Mass | 371.9723 |
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| SMILES | O=C(O)c1ccccc1C(=O)OC(c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | AQGKZXJWYMTSFW-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 | 1-carboxy-2-haloaromatic compoundsalkyl chloridesbenzoic acidsbenzoyl derivativesbenzyloxycarbonylscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | benzyloxycarbonylcarboxylic acidalkyl chlorideorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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