| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:36 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O9 |
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| Molecular Mass | 398.1577 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OC1C(O)CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | YZSUTJYTGOJKKC-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 homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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