| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:11 UTC |
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| Update Date | 2025-03-21 18:05:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060251 |
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| Frequency | 52.0 |
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| Structure | |
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| Chemical Formula | C17H22O5 |
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| Molecular Mass | 306.1467 |
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| SMILES | CCC(CCC(=O)O)COC(=O)C=Cc1ccc(OC)cc1 |
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| InChI Key | KRIUTANVXZVOQO-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | enoate esterfatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxideorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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