| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:09 UTC |
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| Update Date | 2025-03-21 18:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118013 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C17H21NO11 |
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| Molecular Mass | 415.1115 |
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| SMILES | O=C(CNC(Cc1ccc(O)cc1)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YMCQKKKTHUJBIK-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativesphenylpropanoic acidspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivativestyrosine and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesalcoholsecondary aliphatic aminepyran carboxylic acid or derivativestyrosine or derivativeshydroxy acidsecondary amineoxacyclephenylalanine or derivativesorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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