| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:59:22 UTC |
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| Update Date | 2025-03-21 18:06:02 UTC |
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| HMDB ID | HMDB0302382 |
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| Metabolite Identification |
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| DeepMet ID | DMID00060693 |
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| Name | 1,3-Diacetylbenzene |
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| Frequency | 51.5 |
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| Structure | |
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| Chemical Formula | C10H10O2 |
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| Molecular Mass | 162.0681 |
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| SMILES | CC(=O)c1cccc(C(C)=O)c1 |
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| InChI Key | VCHOFVSNWYPAEF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxideacetophenonehydrocarbon derivativebenzenoidalkyl-phenylketone |
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