| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:47 UTC |
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| Update Date | 2025-03-21 17:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023788 |
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| Frequency | 164.6 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | O=C(CCc1ccccc1)CC(=O)C(=O)O |
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| InChI Key | IIISQTZDBAGFRK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-acylpyruvic acidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl group3-acylpyruvic acidcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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