| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:16 UTC |
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| Update Date | 2025-03-21 18:33:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093859 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C13H22O12 |
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| Molecular Mass | 370.1111 |
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| SMILES | O=CC(O)C(O)CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | RRAKSPIBUFUQKA-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha-hydroxyaldehydesbeta-hydroxy aldehydescarbonyl hydratescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy aldehydecarbonyl groupcarbonyl hydratemonosaccharidealdehydecarboxylic acid derivativeoxacyclefatty acid estersaccharideorganic oxidemonocarboxylic acid or derivativesalpha-hydroxyaldehydeorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
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