| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:24 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220800 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O7 |
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| Molecular Mass | 296.0896 |
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| SMILES | O=C(O)CCc1cccc(OC(=O)CC(O)CC(=O)O)c1 |
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| InChI Key | ZSWGWWLETLJKCH-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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