| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149325 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | O=C(O)CCC(O)(CC(=O)O)Oc1ccccc1 |
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| InChI Key | UUIYIAGIWUYVRP-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiketalshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidhemiketalcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshemiacetalhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidphenoxy compoundorganooxygen compound |
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