| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:26 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234271 |
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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 | Cc1cc(O)c(C(C)C)cc1CCC(=O)O |
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| InChI Key | GCRGLNSFXIJICR-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 | 1-hydroxy-2-unsubstituted benzenoidsaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestoluenes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidm-cresol3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolcumenehydrocarbon derivativebenzenoidtolueneorganooxygen compoundaromatic monoterpenoid |
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