| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:08 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO9 |
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| Molecular Mass | 343.0903 |
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| SMILES | Nc1ccc(C(OC2OC(C(=O)O)C(O)C(O)C2O)C(=O)O)cc1 |
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| InChI Key | KLXRJQCIHXWCOO-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 acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic 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 acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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