| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:00 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249383 |
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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 | COc1cc(CCC(=O)O)ccc1OC(=O)CC(C)C |
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| InChI Key | WWQJOOUSRAUSDK-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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