| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:59 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | O=C(O)C(=O)CCCCOc1ccccc1 |
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| InChI Key | WWYFLSVHTNUXHE-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 acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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