| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:45 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121767 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C12H21NO8 |
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| Molecular Mass | 307.1267 |
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| SMILES | CCC(O)=NC1C(O)OC(CO)C(O)C1OC(C)C(=O)O |
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| InChI Key | LLROICCOECGQHC-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 | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssugar acids and derivatives |
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| Substituents | carboximidic acidcarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethern-acyl-alpha-hexosaminepropargyl-type 1,3-dipolar organic compoundmuramic_acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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