| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:43 UTC |
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| Update Date | 2025-03-21 18:38:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119346 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C19H24N2O11 |
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| Molecular Mass | 456.138 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | PVDOICJOSNKJBO-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 | alpha amino acidsamino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundamino acidbenzoylmonosaccharidetricarboxylic acid or derivativespyran carboxylic aciddialkyl etherbenzamidebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativeshydroxy acidsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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