| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:43 UTC |
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| Update Date | 2025-03-21 18:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059141 |
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| Frequency | 53.2 |
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| Structure | |
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| Chemical Formula | C14H20O3 |
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| Molecular Mass | 236.1412 |
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| SMILES | CC(CC(=O)O)c1ccc(C(O)C(C)C)cc1 |
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| InChI Key | BOTFUTZUCIYXRM-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 alcoholsaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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