| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:38:30 UTC |
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| Update Date | 2025-03-21 17:58:04 UTC |
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| HMDB ID | HMDB0246557 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012007 |
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| Name | 4-Octylphenol |
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| Frequency | 381.4 |
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| Structure | |
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| Chemical Formula | C14H22O |
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| Molecular Mass | 206.1671 |
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| SMILES | CCCCCCCCc1ccc(O)cc1 |
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| InChI Key | NTDQQZYCCIDJRK-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesorganooxygen compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compound1-hydroxy-2-unsubstituted benzenoidhydrocarbon derivativeorganooxygen compound |
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