| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:19:31 UTC |
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| Update Date | 2025-03-25 01:23:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02384261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | O=C=C(CC=O)CC(=O)O |
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| InChI Key | LMFXAOCYDGESHC-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 acidsfatty acylshydrocarbon derivativesketenesmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidaldehydecarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatealpha-hydrogen aldehydehydrocarbon derivativeketeneorganooxygen compound |
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