| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:23 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15ClO4 |
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| Molecular Mass | 306.0659 |
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| SMILES | COc1cc(CC(=O)O)ccc1OCc1ccc(Cl)cc1 |
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| InChI Key | QUMHFOFXGJBSSC-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 ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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