| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:34 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161451 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23N3O5 |
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| Molecular Mass | 349.1638 |
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| SMILES | NCCCCC(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)C(=O)O |
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| InChI Key | NWNZNVRKZYQDIV-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 | 1-hydroxy-2-unsubstituted benzenoidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidindole1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary amineamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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