| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:55 UTC |
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| Update Date | 2025-03-21 18:30:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083583 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | CC(Cc1ccc(C(=O)C(=O)O)cc1)C(=O)O |
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| InChI Key | JSPHJUJVBVAXRU-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 | alpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylcarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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