| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:30 UTC |
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| Update Date | 2025-03-21 18:28:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072936 |
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| Frequency | 50.2 |
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| Structure | |
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| Chemical Formula | C13H14N2O8 |
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| Molecular Mass | 326.075 |
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| SMILES | O=C(O)C1OC(Oc2cccc3[nH]c(=O)[nH]c23)C(O)C(O)C1O |
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| InChI Key | QHVLJKWGCJGIHB-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbenzimidazolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolealcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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