| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:21 UTC |
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| Update Date | 2025-03-25 01:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO9 |
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| Molecular Mass | 321.106 |
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| SMILES | O=C(OCOC1OC(C(=O)O)C(O)C(O)C1O)C1CCCN1 |
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| InChI Key | XPKFXTWYMYNFIK-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 acid estersalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesproline and derivativespyran carboxylic acidspyrrolidine carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino 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 derivativesalcoholsecondary aliphatic aminepyran carboxylic acid or derivativesalpha-amino acid esterazacyclehydroxy acidsecondary amineoxacyclepyrrolidine carboxylic acid or derivativespyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamine |
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