| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:16 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O4+ |
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| Molecular Mass | 241.1183 |
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| SMILES | C[N+](C)(C)Cc1ccc(C(=O)NCC(=O)O)o1 |
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| InChI Key | IFRZLDPNPDXEHM-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsaralkylaminescarbonyl compoundscarboxylic acidsfuranoid amino acids and derivativesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamidearalkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationfuranoid amino acidorganic saltorganoheterocyclic compoundfuroic acid or derivativestetraalkylammonium saltquaternary ammonium saltheteroaromatic compoundcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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