| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:49 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O10 |
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| Molecular Mass | 338.1213 |
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| SMILES | CC(CCC(=O)O)CC(=O)OC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | PRRJFVLEQBXLFZ-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 | acetalscarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidcarbonyl hydrateheterocyclic fatty acidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholmethyl-branched fatty acidbranched fatty acidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativesaccharolipidorganooxygen compound |
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