| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:30 UTC |
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| Update Date | 2025-03-25 00:47:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClO2 |
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| Molecular Mass | 224.0604 |
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| SMILES | CC1(Cc2cccc(Cl)c2)COC(=O)C1 |
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| InChI Key | GKTKCGMWKANIDU-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 | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundstetrahydrofurans |
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| Substituents | aryl chloridechlorobenzenecarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranorganochloridecarboxylic acid derivativeorganohalogen compoundgamma butyrolactonearyl halidelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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