| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:50 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | C=CC(=C=O)CC(=O)O |
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| InChI Key | IREOCDKLPGBZMC-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 | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesketenesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeketeneorganooxygen compound |
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