| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:59 UTC |
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| Update Date | 2025-03-25 00:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O9 |
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| Molecular Mass | 308.1107 |
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| SMILES | CC(OC1OC(CO)C(O)C(O)C1O)C(=O)CCC(=O)O |
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| InChI Key | WCMZTVPFNBRYTH-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 | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl glycosidescarboxylic acidsfatty acylsgamma-keto acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidecarboxylic acid derivativeketonesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeorganooxygen compoundalkyl glycosidemedium-chain keto acid |
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