| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:48 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157576 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | C=CC(OC(=O)CCC)C(=O)O |
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| InChI Key | LRGYZZOMUTUROE-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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