| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:17 UTC |
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| Update Date | 2025-03-21 18:37:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118350 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C11H13NO7 |
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| Molecular Mass | 271.0692 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(CO)o1)C(=O)O |
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| InChI Key | RBAJYDVFMMZNDY-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholfuroic acid or derivativesn-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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