| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:40 UTC |
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| Update Date | 2025-03-25 00:49:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O4 |
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| Molecular Mass | 188.1049 |
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| SMILES | CCC(C)C(CC(=O)O)OC(C)=O |
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| InChI Key | MNJYILNRDWFHSR-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 acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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