| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H24N2O10 |
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| Molecular Mass | 380.1431 |
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| SMILES | NC(CCNCCCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | NNEOZBWCQDZTPG-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 acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesfatty acid estersgamma amino acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidgamma amino acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamine |
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