| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:25 UTC |
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| Update Date | 2025-03-21 18:31:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087058 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C12H17NO4 |
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| Molecular Mass | 239.1158 |
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| SMILES | COc1ccc(C(O)CNC(C)=O)cc1OC |
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| InChI Key | NIIBVFMOHDNAEO-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundacetamidealcoholcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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