| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:04 UTC |
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| Update Date | 2025-03-21 18:04:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048310 |
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| Frequency | 68.7 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | CC(C(=O)O)c1ccc(CC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | XIRZWHOGLUHGAG-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 monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidestricarboxylic acids and derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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