| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:53 UTC |
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| Update Date | 2025-03-25 00:49:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O5 |
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| Molecular Mass | 244.1311 |
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| SMILES | CCC(CCC(C)O)COC(=O)C=CC(=O)O |
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| InChI Key | YMKHEPPLKSHWTP-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 acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | enoate esteralcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidalpha,beta-unsaturated carboxylic esterunsaturated fatty acidfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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