| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:03 UTC |
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| Update Date | 2025-03-21 18:36:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112867 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C11H14O4 |
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| Molecular Mass | 210.0892 |
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| SMILES | O=C(O)CCC(O)C(O)c1ccccc1 |
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| InChI Key | BFMUWUFKMGUPPT-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 | 1,2-diolsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound1,2-diol |
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