| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O3 |
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| Molecular Mass | 224.1412 |
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| SMILES | COc1ccc(C(O)CC(C)(C)C)c(O)c1 |
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| InChI Key | IQAJBACQLCHKJR-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyethermethoxyphenol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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