| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:07 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO3 |
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| Molecular Mass | 299.1521 |
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| SMILES | CN(C)CCC(Oc1ccc(C(=O)O)cc1)c1ccccc1 |
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| InChI Key | FRUKEOLVENXRFF-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundstrialkylamines |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidtertiary aminetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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