| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:51 UTC |
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| Update Date | 2025-03-21 18:39:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124286 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C16H19NO11 |
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| Molecular Mass | 401.0958 |
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| SMILES | O=C(O)CC(Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | JPOQCSVVTWSPIN-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 | acetalsalpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylaminestricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundamino acido-glucuronidemonosaccharidetricarboxylic acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundpyranaspartic acid or derivativessecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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