| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:53 UTC |
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| Update Date | 2025-03-21 18:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088145 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CC(=O)OC(=O)CCCc1ccccc1 |
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| InChI Key | FKEJWKNEJYVDQD-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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