Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:26:13 UTC |
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Update Date | 2025-03-21 18:39:20 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00125144 |
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Frequency | 20.5 |
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Structure | |
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Chemical Formula | C14H18O6 |
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Molecular Mass | 282.1103 |
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SMILES | O=C(CCC(O)Cc1ccccc1)OCC(O)C(=O)O |
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InChI Key | LHGUEVYYLMRMKI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic oxygen compounds |
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Class | organooxygen compounds |
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Subclass | carbohydrates and carbohydrate conjugates |
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Direct Parent | sugar acids and derivatives |
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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 acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidehydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideglyceric_acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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