| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:20 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046581 |
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| Frequency | 71.8 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CC(C)c1ccc(CC(=O)C(=O)O)cc1 |
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| InChI Key | ARBYLMGHSUQHSN-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaromatic monoterpenoidscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanesphenylpropanoic acids |
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| Substituents | monoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidphenylpyruvate3-phenylpropanoic-acidp-cymenealpha-hydroxy ketonecarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidcumenehydrocarbon derivativeorganooxygen compoundaromatic monoterpenoid |
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