| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O7 |
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| Molecular Mass | 384.1209 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC(=O)C=Cc1ccc(O)c(O)c1 |
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| InChI Key | BXPWUEJIEMKYDP-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenol estersphenoxy compoundstetrahydrofurans |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic esterorganic oxideorganoheterocyclic compoundenoate estertetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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