| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:43 UTC |
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| Update Date | 2025-03-25 00:48:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O3 |
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| Molecular Mass | 166.063 |
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| SMILES | CC(C)C(=O)c1cccc(=O)o1 |
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| InChI Key | FSSCLABTDRZOHR-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 | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundlactoneoxacycleorganic oxidepyranpyranonehydrocarbon derivativeorganoheterocyclic compound |
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