| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:43 UTC |
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| Update Date | 2025-03-21 18:29:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075859 |
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| Frequency | 38.9 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | CC(C)c1cccc(C(=O)C(=O)O)c1 |
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| InChI Key | BGMMOWOEVYRFPQ-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | carbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidcumenehydrocarbon derivativeorganooxygen compoundaryl ketone |
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