| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:59 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036079 |
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| Frequency | 98.3 |
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| Structure | |
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| Chemical Formula | C18H26O9 |
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| Molecular Mass | 386.1577 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OCOC1OC(CO)C(O)C(O)C1O |
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| InChI Key | SVJJZKXMGYIDSR-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 compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativeoxacyclefatty acid estersaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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