| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:52 UTC |
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| Update Date | 2025-03-21 18:40:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129125 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CCC(=O)OCOC(=O)Cc1ccccc1 |
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| InChI Key | AMSZDPVQJAJIQS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | acylals |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic homomonocyclic compoundacylalorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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