| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:59 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N3O3+ |
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| Molecular Mass | 254.1499 |
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| SMILES | Cn1cc(C(N)=O)cc1CC(C(=O)O)[N+](C)(C)C |
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| InChI Key | ADXHWDSIOJNDGQ-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 heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpyrrolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidessubstituted pyrrolestetraalkylammonium saltsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativessubstituted pyrroleorganic oxidealpha-amino acidorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundvinylogous amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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