| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:18 UTC |
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| Update Date | 2025-03-21 18:40:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130161 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | C[N+](C)([O-])C(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | UAWLXYGSKMIPGX-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundspyrrolestrialkyl amine oxidestrisubstituted amine oxides and derivatives |
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| Substituents | carbonyl groupcarboxylic acidindoletrialkyl amine oxideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-oxideheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundtrisubstituted n-oxideaminoxidepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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