| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:50 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O6 |
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| Molecular Mass | 206.079 |
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| SMILES | CCC(=O)OC(CO)C(C)(O)C(=O)O |
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| InChI Key | ZEJABNNKTKFTCP-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 acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesprimary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compound |
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