| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30N3O5+ |
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| Molecular Mass | 416.218 |
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| SMILES | C=CC1=C(C)C(=Cc2[nH]c(CC(C(=O)O)[N+](C)(C)C)c(C)c2CCC(=O)O)NC1=O |
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| InChI Key | DCFAWZZDOCZRAV-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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