| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:31 UTC |
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| Update Date | 2025-03-25 00:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229917 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O6 |
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| Molecular Mass | 274.1416 |
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| SMILES | CCCCCC=CC(=O)OC(C(C)O)C(O)C(=O)O |
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| InChI Key | SMODDLRGYPASQT-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethyl-branched fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxidehydroxy fatty acidenoate esteralcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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