| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:48 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248938 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13ClO3 |
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| Molecular Mass | 264.0553 |
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| SMILES | COc1cc2ccc(C(C)C(=O)O)cc2cc1Cl |
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| InChI Key | AHQRTLMKKDBTOI-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 | naphthalenes |
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| Subclass | chloronaphthalenes |
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| Direct Parent | chloronaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aryl chloridephenol ethercarbonyl groupethercarboxylic acidorganochloridechloronaphthalenearomatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compound |
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