| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:43 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7 |
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| Molecular Mass | 335.1005 |
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| SMILES | O=C(O)C1OC(Nc2ccc3c(O)cccc3c2)C(O)C(O)C1O |
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| InChI Key | ONEYLAWNVKHOQH-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesnaphthalenepyransecondary alcoholhydrocarbon derivative1-naphtholbenzenoidorganic nitrogen compoundamine |
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