| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153492 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O6 |
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| Molecular Mass | 320.126 |
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| SMILES | COc1ccc(C=CC(=O)OC2CC(O)CC(C(=O)O)C2)cc1 |
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| InChI Key | QSBBENOVJQCESO-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 acidscyclic alcohols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate esteralcoholcyclohexanolcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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