| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:13 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO8 |
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| Molecular Mass | 321.1424 |
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| SMILES | CC(=O)NC1C(OC(C)C(C)C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | DMFDLUOCEFIVDV-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 | acetalsacetamidescarbonyl compoundscarboxylic acidsfatty acyl glycosides of mono- and disaccharidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidcarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholmethyl-branched fatty acidfatty acyl glycosidecarboxamide groupbranched fatty acidoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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