| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:55 UTC |
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| Update Date | 2025-03-21 18:05:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057217 |
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| Frequency | 55.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7 |
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| Molecular Mass | 299.1005 |
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| SMILES | CNc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | CAYVIVAODQZOON-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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