| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:45 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047568 |
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| Frequency | 70.0 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | CC(=O)Oc1cc(CCC(=O)O)ccc1O |
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| InChI Key | ASYSRCYEHQIGJG-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 | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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