| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:57 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102882 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C=C(CCCC(=O)O)C(=O)O |
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| InChI Key | PLYMNKGNGZJDNQ-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketenesorganic oxidesunsaturated fatty acidsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidketeneorganooxygen compound |
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