| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:37 UTC |
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| Update Date | 2025-03-25 00:51:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O3 |
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| Molecular Mass | 236.1412 |
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| SMILES | CC(C)CC(O)(CC(=O)O)Cc1ccccc1 |
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| InChI Key | QZHNJEFMCIDRLK-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 | benzene and substituted derivativesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidaromatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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