| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:29 UTC |
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| Update Date | 2025-03-25 00:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | Cc1cccc(C(C)C)c1C(O)CC(=O)O |
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| InChI Key | GZHOQZMZDFPHCB-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 alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessecondary alcoholstoluenes |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidhydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholcumenehydrocarbon derivativebenzenoidtolueneorganooxygen compound |
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