| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:04 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O3 |
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| Molecular Mass | 276.1474 |
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| SMILES | Cc1cn(CCCCC(N)C(=O)O)c2c(O)cccc12 |
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| InChI Key | TVNLAMPVFLIXIW-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 benzenoids1-hydroxy-4-unsubstituted benzenoids3-methylindolesamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | 3-methylindolefatty acylcarbonyl groupn-alkylindolecarboxylic acidheterocyclic fatty acidindole1-hydroxy-2-unsubstituted benzenoidfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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