| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:28 UTC |
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| Update Date | 2025-03-25 00:53:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO9 |
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| Molecular Mass | 335.1216 |
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| SMILES | CCC(C)C(NC(=O)OC1CC(O)C(O)C(C(=O)O)O1)C(=O)O |
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| InChI Key | WJIWSQYOSFBQMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | saccharolipids |
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| Subclass | saccharolipids |
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| Direct Parent | saccharolipids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalpha amino acidsbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsisoleucine and derivativesmethyl-branched fatty acidsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneisoleucine or derivativesorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativepyran carboxylic acid or derivativesmethyl-branched fatty acidcarbamic acid esterhydroxy acidbranched fatty acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundsaccharolipidorganooxygen compound |
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