| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:55 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160022 |
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| Frequency | 0.5 |
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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 | C=C(CC)C(=O)c1ccc(O)cc1O |
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| InChI Key | AYCWHOPEJAQXHU-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-branched alpha,beta-unsaturated ketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsresorcinolsvinylogous acids |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonebenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketoneresorcinolketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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