| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:33 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111698 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | COCCc1ccc(OCCCC(=O)O)cc1 |
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| InChI Key | WFFRLSRZHMIYGB-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativetyrosol derivativephenoxy compoundorganooxygen compound |
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