Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:46 UTC |
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Update Date | 2025-03-21 18:35:48 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00107324 |
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Frequency | 25.0 |
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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)C(O)C(O)CCc1ccccc1 |
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InChI Key | ZPJZMJICPBIGCI-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-diolsalpha hydroxy acids and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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