| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:04 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O3 |
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| Molecular Mass | 232.1099 |
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| SMILES | C=CC(=O)Cc1c(C)ccc(CC(=O)O)c1C |
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| InChI Key | XYEJNBPSUTWLCZ-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 | xylenes |
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| Direct Parent | m-xylenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acidsenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidm-xylenealpha,beta-unsaturated ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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