| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:13 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | CC(=O)c1oc(C)cc(=O)c1O |
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| InChI Key | ZYBGQGIJOGKAFG-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 | cyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacyclevinylogous acidorganic oxidepyranpyranonehydrocarbon derivativeorganoheterocyclic compound |
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