| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:02 UTC |
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| Update Date | 2025-03-25 00:54:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208191 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O6 |
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| Molecular Mass | 294.1103 |
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| SMILES | CC(CC(=O)O)Cc1ccc(C(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | KJLMLSHNKXTWGF-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 monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanestricarboxylic acids and derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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