| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:47 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24O3 |
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| Molecular Mass | 264.1725 |
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| SMILES | CC(CCCC(=O)O)c1ccc(CC(C)(C)O)cc1 |
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| InChI Key | PSHTVNTYJKNQJW-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 | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | branched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty acidp-cymenecarboxylic acid derivativemedium-chain hydroxy acidphenylpropaneorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholbranched fatty acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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