| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:58:13 UTC |
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| Update Date | 2025-03-24 19:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01053906 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C9H6O |
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| Molecular Mass | 130.0419 |
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| SMILES | C#CC(=O)c1ccccc1 |
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| InChI Key | JITPLZPWKYUTDM-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 | acetylidesalpha,beta-unsaturated ketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | acetylidebenzoylalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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