| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:52 UTC |
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| Update Date | 2025-03-25 01:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244457 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24O2 |
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| Molecular Mass | 248.1776 |
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| SMILES | CCCC(CC(=O)O)c1ccc(CC(C)C)cc1 |
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| InChI Key | RXUMRTYCRLTLKV-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 derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | fatty acylcarbocyclic fatty acidmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidfatty acidp-cymenecarboxylic acid derivativebranched fatty acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compoundaromatic monoterpenoid |
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