| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:21 UTC |
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| Update Date | 2025-03-21 18:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060657 |
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| Frequency | 51.6 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)CCCCC1=CC(=O)C(=O)C=C1 |
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| InChI Key | RXOFIMTVNDLTPT-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 | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesquinones |
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| Substituents | carbocyclic fatty acidcarbonyl groupcarboxylic acido-benzoquinonecyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compoundquinone |
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