| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:09 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO4 |
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| Molecular Mass | 267.1471 |
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| SMILES | COc1cccc(C(O)(CCCN(C)C)C(=O)O)c1 |
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| InChI Key | HHOPXKVBCKUENU-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 ethersalpha hydroxy acids and derivativesamino acidsanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminehydroxy acidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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