| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:35 UTC |
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| Update Date | 2025-03-25 00:51:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O5 |
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| Molecular Mass | 266.1154 |
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| SMILES | CC(O)CCC(=O)Oc1ccc(CCC(=O)O)cc1 |
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| InChI Key | GLQBNNMWOPFTKF-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundssecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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