| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:18 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127753 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C15H21N2O3+ |
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| Molecular Mass | 277.1547 |
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| SMILES | COc1ccc2c(CC(C(=O)O)[N+](C)(C)C)c[nH]c2c1 |
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| InChI Key | VXQMZWJFDHRGEN-UHFFFAOYSA-O |
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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 | alkyl aryl ethersaminesanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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