| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:23 UTC |
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| Update Date | 2025-03-25 00:58:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO9 |
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| Molecular Mass | 375.1529 |
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| SMILES | CCCC=CCCC(O)=NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ICXAWHWDCOBVTP-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterorganic 1,3-dipolar compoundhydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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