| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:24 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(C)(C)C(=O)C(=O)c1ccc(O)cc1O |
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| InChI Key | VZUMHFBLTGWFQR-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-diketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesresorcinolsvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-diketoneresorcinolketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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