| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:56 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217357 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26O3 |
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| Molecular Mass | 278.1882 |
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| SMILES | CC(C)CC(CC(=O)O)c1ccc(CC(C)CO)cc1 |
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| InChI Key | KOYUDJUAKIQNNZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanesprimary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidfatty acidp-cymenecarboxylic acid derivativemedium-chain hydroxy acidphenylpropaneorganic oxidemedium-chain fatty acidhydroxy fatty acidprimary alcoholalcoholbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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