| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:51 UTC |
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| Update Date | 2025-03-21 18:37:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114839 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C13H15ClO3 |
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| Molecular Mass | 254.071 |
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| SMILES | O=C(O)C1CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | BRFWBSVMYKAGHH-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 homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridestertiary alcohols |
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| Substituents | aryl chloridechlorobenzenealcoholcarbonyl groupcarboxylic acidorganochloridecyclohexanolcyclic alcoholcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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