| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:33 UTC |
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| Update Date | 2025-03-21 18:04:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049443 |
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| Frequency | 66.7 |
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| Structure | |
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| Chemical Formula | C16H17NO8 |
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| Molecular Mass | 351.0954 |
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| SMILES | O=CCc1c[nH]c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12 |
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| InChI Key | LUCKPKLFMXYKBO-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 | acetalsalpha-hydrogen aldehydesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativesaldehydehydroxy acidoxacyclemonocarboxylic acid or derivativesalpha-hydrogen aldehydepyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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