| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12Cl2O3 |
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| Molecular Mass | 274.0164 |
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| SMILES | O=C(O)CC1CC(c2ccc(Cl)c(Cl)c2)CO1 |
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| InChI Key | ONOPJGUEAXIOAQ-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundstetrahydrofurans |
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| Substituents | aryl chloridecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranorganochloridecarboxylic acid derivativeorganohalogen compounddialkyl etheraryl halideoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1,2-dichlorobenzeneorganoheterocyclic compoundorganooxygen compound |
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