| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:42 UTC |
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| Update Date | 2025-03-21 17:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019100 |
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| Frequency | 215.4 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(=O)OC(=O)CCC(O)Cc1ccccc1 |
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| InChI Key | MDIWREHZSGVWLM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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