| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O10 |
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| Molecular Mass | 412.1118 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC(O)(CC(=O)O)C(=O)O)cc1)C(=O)O |
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| InChI Key | SRJJMZHYZRQTML-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsbenzoyl derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidestertiary alcoholstetracarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativestetracarboxylic acid or derivativesglutamic acid or derivativeshydroxy acidsecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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