| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:02 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO7 |
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| Molecular Mass | 313.1162 |
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| SMILES | COc1ccc(CNC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | NPGNIKSNHZICFT-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 | n-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativeshemiaminalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidn-glucuronidehemiaminalbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary aminemethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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