| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:39 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182300 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O2+ |
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| Molecular Mass | 244.1206 |
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| SMILES | O=C(O)C1CCC[N+]1Cc1c[nH]c2ccccc12 |
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| InChI Key | JSLDPYVJOFUOKN-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidineheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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