| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:40 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052044 |
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| Frequency | 62.6 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | CC(C(=O)O)c1ccc(CC(C)(O)CO)cc1 |
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| InChI Key | SRMBOBLINHMSKM-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 | 1,2-diolsaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestertiary alcohols |
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| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid1,2-diol |
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