| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182210 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11ClO4 |
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| Molecular Mass | 254.0346 |
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| SMILES | O=C(O)C1COC(=O)C1Cc1ccc(Cl)cc1 |
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| InChI Key | BSYJMGUDBGFEAA-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 esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesorganochloridesoxacyclic compoundstetrahydrofurans |
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| Substituents | aryl chloridechlorobenzenecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranorganochloridecarboxylic acid derivativeorganohalogen compoundgamma butyrolactonearyl halidelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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