| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:21 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4 |
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| Molecular Mass | 266.1267 |
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| SMILES | NC(CCCC1Cc2cc(O)c(O)cc2N1)C(=O)O |
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| InChI Key | XFKPXPKPQNQTRY-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 acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesindolinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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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 aciddihydroindoleorganoheterocyclic compoundazacycleindole or derivativessecondary amineamino fatty acidsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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