| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:53 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | CC(Cc1ccc(C(C)C(=O)OCC(O)C(=O)O)cc1)C(=O)O |
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| InChI Key | WKCYQQOUNPVVIW-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 | alpha hydroxy acids and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesphenylpropanessecondary alcoholssugar acids and derivativestricarboxylic acids and derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesp-cymenecarboxylic acid derivativephenylpropanesaccharideorganic oxideglyceric_acidalcoholhydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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