| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:40 UTC |
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| Update Date | 2025-03-25 00:55:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H40O9 |
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| Molecular Mass | 448.2672 |
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| SMILES | CCCCCCCCCCCCCC(CC(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | DPERUWZBNPQAJX-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 | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | rhamnolipids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslong-chain fatty acidsmono-rhamnolipidsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl grouplong-chain fatty acidcarboxylic acidglucuronic acid or derivativesheterocyclic fatty acido-glucuronidemonosaccharidefatty acidmono-rhamnolipidcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhydroxy fatty acidoxanerhamnolipidorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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