| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:46 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O6 |
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| Molecular Mass | 296.126 |
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| SMILES | CC(C)(C)c1cc(C(O)(CC(=O)O)CC(=O)O)ccc1O |
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| InChI Key | DQXJXFRXIDIMKD-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-hydroxy-2-unsubstituted benzenoidsaromatic alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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