| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:37 UTC |
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| Update Date | 2025-03-21 18:40:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128562 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C10H8Cl2O4 |
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| Molecular Mass | 261.98 |
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| SMILES | O=C(O)CCC(=O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | XCYWGGLWMMJILP-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzenesfatty acid estershydrocarbon derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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