| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219218 |
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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 | COc1ccc(CNCCCCC(=O)O)cc1OC |
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| InChI Key | PENHHEGDEYWTAO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolescarbonyl compoundscarboxylic acidsdialkylaminesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl etherdimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativessecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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