| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:43 UTC |
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| Update Date | 2025-03-21 18:41:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135668 |
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| Frequency | 18.5 |
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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 | Cc1ccc(CCC(=O)O)c(C(=O)O)c1CCC(=O)O |
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| InChI Key | SIICMFMOJQKXIJ-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-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesorganic oxidestoluenestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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