| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:03 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6Cl2O4 |
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| Molecular Mass | 247.9643 |
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| SMILES | O=C(O)COC(=O)c1c(Cl)cccc1Cl |
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| InChI Key | IUFBPKDYAYLUSK-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 | 2-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesvinylogous halides |
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| Substituents | carbonyl groupcarboxylic acidorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxidearyl chloridechlorobenzenehalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
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