| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O5 |
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| Molecular Mass | 280.1311 |
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| SMILES | COC(=O)C(C)C(O)c1ccc(CC(C)C(=O)O)cc1 |
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| InChI Key | YOEXESMVWZRXIH-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 | aromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidesphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholalcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidhydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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