| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO9 |
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| Molecular Mass | 383.1216 |
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| SMILES | CN(C)c1ccc(C=CC(=O)O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ILCFPWAVXMKKGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsamino acidsaniline and substituted anilinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdialkylarylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundoxanedialkylarylaminetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaniline or substituted anilineshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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