| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:05 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O6 |
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| Molecular Mass | 242.079 |
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| SMILES | O=C(O)CCC1(CC(=O)O)CC(O)C=CC1=O |
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| InChI Key | DWFONAWYEUFCJP-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 acidscyclohexenonesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcyclohexenonecarbocyclic fatty acidcarbonyl groupcarboxylic acidcyclic ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneorganic oxideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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