| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:40 UTC |
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| Update Date | 2025-03-21 18:38:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121578 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CC=CC(=O)CC(O)CCC(=O)O |
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| InChI Key | UEEDEOJHCWDUPG-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 compoundsbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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