| 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 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234283 |
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| Frequency | 0.5 |
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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 | Cc1cc(CC(=O)O)c(C)c(C=O)c1C |
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| InChI Key | IHHVHFCGVYAMEK-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzaldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylaldehydecarboxylic acid derivativearomatic homomonocyclic compoundbenzaldehydeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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