| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:41 UTC |
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| Update Date | 2025-03-25 00:55:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O6 |
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| Molecular Mass | 246.1103 |
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| SMILES | CC=CC(=O)OC(C)C(O)C(O)C(=O)OCC |
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| InChI Key | AGAQKKXIFKADJX-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | enoate esteralcoholfatty acylaliphatic acyclic compoundcarbonyl groupmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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