| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:12 UTC |
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| Update Date | 2025-03-21 18:41:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132267 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C14H20O4 |
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| Molecular Mass | 252.1362 |
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| SMILES | CC(c1ccc(CC(C)(C)O)cc1)C(O)C(=O)O |
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| InChI Key | HPLNBYMECYNCSG-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 | alpha hydroxy acids and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanessecondary alcoholstertiary alcohols |
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| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidp-cymenehydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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