| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:07 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | Cc1ccc(C)c(C(=O)OCCCC(=O)O)c1CCC(=O)O |
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| InChI Key | RFLFQCOCPILYPJ-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 | benzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidestricarboxylic acids and derivativesp-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidep-xyleneorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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