| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:44 UTC |
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| Update Date | 2025-03-21 18:39:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124027 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C17H20N2O6 |
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| Molecular Mass | 348.1321 |
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| SMILES | O=C(O)CC(O)CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | DVUJHSQNKJOCEJ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty amidefatty acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativeshydroxy acidcarboxamide groupamino fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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