| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:19 UTC |
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| Update Date | 2025-03-21 18:01:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034477 |
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| Frequency | 104.3 |
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| Structure | |
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| Chemical Formula | C10H13ClO |
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| Molecular Mass | 184.0655 |
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| SMILES | CC(C)(C)c1cc(Cl)ccc1O |
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| InChI Key | YLSXYZWJAZVUBD-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesorganochloridesorganooxygen compoundsp-chlorophenols |
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| Substituents | aryl chloridechlorobenzene4-chlorophenolorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundorganic oxygen compound4-halophenolphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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