| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:40 UTC |
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| Update Date | 2025-03-21 18:04:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052015 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | O=CCC(=CC(=O)O)C(=O)O |
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| InChI Key | WROCSJUQSAMQBQ-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 | alpha-hydrogen aldehydescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidaldehydecarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundalpha-hydrogen aldehydedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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