| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:48 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O8 |
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| Molecular Mass | 342.1315 |
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| SMILES | O=C(CCC(O)c1ccccc1)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | RIIGMXICZAIUEX-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholfatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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