| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 15:18:59 UTC |
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| Update Date | 2025-03-25 01:00:46 UTC |
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| HMDB ID | HMDB0031315 |
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| Metabolite Identification |
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| DeepMet ID | DMID02244729 |
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| Name | 1-(beta-D-Glucopyranosyloxy)-3-octanone |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H26O7 |
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| Molecular Mass | 306.1679 |
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| SMILES | CCCCCC(=O)CCOC1OC(CO)C(O)C(O)C1O |
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| InChI Key | LXYZKMJJLXYZTE-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 glycosideshydrocarbon derivativesketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acyl glycoside of mono- or disaccharidecarbonyl groupmonosaccharideketoneoxacyclesaccharideorganic oxideorganic oxygen compoundacetalaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compoundalkyl glycoside |
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