| 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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