| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:11 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3 |
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| Molecular Mass | 262.1317 |
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| SMILES | CN(C)CCc1cn(CC(=O)O)c2cc(O)ccc12 |
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| InChI Key | GGBZOWKFSSERNI-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganopnictogen compoundssubstituted pyrrolestrialkylamines |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidamino acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativessubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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