| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:47:08 UTC |
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| Update Date | 2025-03-25 00:25:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01316228 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=C(O)C=CC(=O)CCO |
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| InChI Key | NGFAGGWARHOKTN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalcohols and polyolsbeta-hydroxy ketonescarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonefatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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