| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:34 UTC |
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| Update Date | 2025-03-21 17:58:46 UTC |
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| HMDB ID | HMDB0033809 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016592 |
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| Name | Methyl hydrogen fumarate |
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| Frequency | 257.2 |
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| Structure | |
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| Chemical Formula | C5H6O4 |
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| Molecular Mass | 130.0266 |
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| SMILES | COC(=O)C=CC(=O)O |
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| InChI Key | NKHAVTQWNUWKEO-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 acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesmethyl estersorganic oxidesshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterunsaturated fatty acidfatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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