| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:33 UTC |
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| Update Date | 2025-03-21 18:33:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094519 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C15H20N2O3 |
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| Molecular Mass | 276.1474 |
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| SMILES | COc1ccc2[nH]cc(CCNCCCC(=O)O)c2c1 |
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| InChI Key | YYMGXTKFULVFBZ-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acidindolegamma amino acid or derivativesalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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