| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:02 UTC |
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| Update Date | 2025-03-21 18:04:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052871 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | CC(=O)Oc1ccccc1CCC(=O)O |
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| InChI Key | MTAAFLMZZIYJHI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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