| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:57 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O5 |
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| Molecular Mass | 294.1467 |
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| SMILES | CC(C)(O)Cc1ccc(C(CCC(=O)O)CC(=O)O)cc1 |
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| InChI Key | FWHFOYJRXIVGLR-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary 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 acidalcoholbranched fatty acidaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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