| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:11 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067351 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C11H18N2O3 |
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| Molecular Mass | 226.1317 |
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| SMILES | NC(CCCCNCc1ccco1)C(=O)O |
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| InChI Key | WFLFLPFLLYDEGK-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesfuransheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineheteroaromatic compoundsecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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