| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:01 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO3 |
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| Molecular Mass | 265.1678 |
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| SMILES | COc1ccc(C(C)(CCCN(C)C)C(=O)O)cc1 |
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| InChI Key | SXRQHUBAHYELKN-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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