| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:17 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165410 |
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| Frequency | 0.5 |
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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 | CCC(=O)C(=O)OCC(=O)O |
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| InChI Key | NWJDGSIOYQRZPX-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeketonefatty acid esterorganic oxideorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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