| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:22 UTC |
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| Update Date | 2025-03-25 00:58:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229587 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | CCCCC(C(=O)O)c1ccc(CC(C)C(=O)O)cc1 |
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| InChI Key | YGSQRMFIZPTENU-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 monoterpenoidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | fatty acylcarbocyclic fatty acidmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidmethyl-branched fatty acid3-phenylpropanoic-acidfatty acidp-cymenecarboxylic acid derivativebranched fatty acidphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compoundaromatic monoterpenoid |
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