| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:08 UTC |
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| Update Date | 2025-03-25 01:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | CC(=Cc1ccccc1)CCC(O)C(=O)O |
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| InChI Key | YJCXVYPNJRJPLH-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsfatty alcoholshydrocarbon 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 acidsaccharideorganic oxidefatty alcoholmedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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