| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:37 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157176 |
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| Frequency | 0.5 |
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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(C(O)C(=O)O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO |
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| InChI Key | IOEBQWIGTOUITB-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 | acetalsalpha hydroxy acids and derivativesbeta-hydroxy aldehydesbranched fatty acidscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy aldehydecarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholaldehydehydroxy acidbranched fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesaccharolipidorganooxygen compound |
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