| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:51 UTC |
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| Update Date | 2025-03-21 18:35:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107554 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(Oc1ccc(CCC(=O)O)cc1)C(=O)O |
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| InChI Key | RMAGNWSPVKOOAW-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 | 2-phenoxypropionic acids |
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| Direct Parent | 2-phenoxypropionic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acids |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupether2-phenoxypropionic acidcarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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