| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:19 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101278 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C12H17NO10 |
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| Molecular Mass | 335.0852 |
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| SMILES | O=C(O)C1OC(OC(=O)N2CCCC2C(=O)O)C(O)C(O)C1O |
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| InChI Key | ZAENGZCEBKBDIZ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesproline and derivativespyran carboxylic acidspyrrolidine carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanepyrrolidineorganoheterocyclic compoundproline or derivativesalcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacyclecarbamic acid esterhydroxy acidoxacyclepyrrolidine carboxylic acid or derivativespyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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