| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:05 UTC |
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| Update Date | 2025-03-21 18:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031524 |
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| Frequency | 116.8 |
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| Structure | |
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| Chemical Formula | C21H27NO2 |
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| Molecular Mass | 325.2042 |
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| SMILES | CCCCCCCCc1ccc(Nc2ccc(C(=O)O)cc2)cc1 |
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| InChI Key | XNNNJFCIAAEPPF-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 | amino acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary amines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylsecondary aminecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compoundamine |
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