Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:21 UTC |
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Update Date | 2025-03-21 18:36:04 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00108765 |
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Frequency | 24.6 |
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Structure | |
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Chemical Formula | C11H12O4 |
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Molecular Mass | 208.0736 |
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SMILES | CC(CC(=O)O)c1ccccc1C(=O)O |
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InChI Key | PCJSBBUXSPFFES-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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