| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:12 UTC |
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| Update Date | 2025-03-21 17:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004322 |
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| Frequency | 1302.2 |
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| Structure | |
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| Chemical Formula | C18H26O10 |
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| Molecular Mass | 402.1526 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | RALSSUMGGFOPPQ-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativeoxacyclefatty acid estersaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidoxaneorganoheterocyclic compoundorganooxygen compound |
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