| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:45 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO8 |
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| Molecular Mass | 341.1111 |
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| SMILES | O=C(O)C1OC(OCC2CNc3ccccc3O2)C(O)C(O)C1O |
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| InChI Key | KNKCKVSSIGHOMK-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 | acetalsalkyl aryl ethersamino acidsazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupethercarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclebenzoxazinehydroxy acidsecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholinemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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