| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:59 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | Cc1c(C(=O)C(C)O)c(=O)c(=O)c1=O |
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| InChI Key | TYLIZFQRIXIDHB-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 homomonocyclic compounds |
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| Alternative Parents | acyloinscyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaryl alkyl ketonecyclic ketonearomatic homomonocyclic compoundorganic oxideacyloinsecondary alcoholhydrocarbon derivative |
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