| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:53 UTC |
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| Update Date | 2025-03-25 01:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O4 |
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| Molecular Mass | 228.1362 |
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| SMILES | CCCC=CC(=O)OC(CC)CCC(=O)O |
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| InChI Key | FLVYZFSSFNIYAB-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmedium-chain fatty acidsorganic oxides |
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| Substituents | enoate esterfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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