| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:24 UTC |
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| Update Date | 2025-03-21 18:41:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134976 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C9H13NO4 |
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| Molecular Mass | 199.0845 |
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| SMILES | COc1cc(C(O)CN)c(O)cc1O |
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| InChI Key | PCFDJXWAYJJOCM-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsresorcinolssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherresorcinolorganonitrogen compoundorganopnictogen compoundalcohol4-alkoxyphenolmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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