| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:45 UTC |
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| Update Date | 2025-03-21 18:31:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085529 |
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| Frequency | 33.4 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC(C)(C)c1cc(OCC(=O)O)ccc1O |
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| InChI Key | RIRCGYBXYLLXFT-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanes |
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| Substituents | phenol etherphenoxyacetate4-alkoxyphenolcarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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