| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:38 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135476 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C6H8O5 |
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| Molecular Mass | 160.0372 |
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| SMILES | CC(=CC(=O)O)C(O)C(=O)O |
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| InChI Key | OYMVGXUWAWCCIY-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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