| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:57 UTC |
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| Update Date | 2025-03-21 18:38:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122239 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | CCCOC(=O)C(CO)c1ccccc1 |
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| InChI Key | ALKRCAYGVDIBCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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