| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:29 UTC |
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| Update Date | 2025-03-21 18:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034878 |
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| Frequency | 102.8 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | O=C(O)CNC(CC1=CC(=O)C(=O)C=C1)C(=O)O |
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| InChI Key | OZHPTDFSKDNYNC-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | amino acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeso-benzoquinonesorganic oxidesorganopnictogen compoundsquinones |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acido-benzoquinoneamino acidcyclic ketonesecondary amineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminequinone |
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