| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:26 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | Cc1cc(CC(=O)C(=O)O)ccc1C(C)C |
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| InChI Key | NUOLJUFJMBGJQJ-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 acidstoluenes |
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| Substituents | monoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenealpha-hydroxy ketonecarboxylic acid derivativeketonephenylpropaneorganic oxidealpha-keto acidcumenephenylpyruvatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativetolueneorganooxygen compoundaromatic monoterpenoid |
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