| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:54 UTC |
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| Update Date | 2025-03-25 01:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClO3 |
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| Molecular Mass | 214.0397 |
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| SMILES | CCC(=O)Oc1ccc(Cl)cc1OC |
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| InChI Key | BSHJLQQZLWNBKM-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 | alkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboxylic acid esterschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol esterhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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