| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:49 UTC |
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| Update Date | 2025-03-21 18:37:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114746 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C16H20N2O9 |
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| Molecular Mass | 384.1169 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc(NC2OC(CO)C(O)C2O)cc1)C(=O)O |
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| InChI Key | YCLXIBUSZQYCAZ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminesprimary alcoholssecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylmonosaccharidebenzamidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidtetrahydrofuranhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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