| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:37 UTC |
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| Update Date | 2025-03-21 18:32:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089841 |
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| Frequency | 31.4 |
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| Structure | |
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| Chemical Formula | C16H23N3O3 |
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| Molecular Mass | 305.1739 |
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| SMILES | COc1ccc2[nH]cc(CNCCCCC(N)C(=O)O)c2c1 |
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| InChI Key | RXALMCDGPUSFPA-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsamino fatty acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidamino acidheterocyclic fatty acidindolefatty acidalkyl aryl ethermedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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