| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:45 UTC |
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| Update Date | 2025-03-21 18:30:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083159 |
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| Frequency | 34.6 |
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| Structure | |
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| Chemical Formula | C21H19NO6 |
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| Molecular Mass | 381.1212 |
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| SMILES | COc1cc(C=CC(=O)OC(Cc2c[nH]c3ccccc23)C(=O)O)ccc1O |
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| InChI Key | NYUJBJHHRKKJDT-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrroles |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundenoate esterazacycleheteroaromatic compoundindole or derivativesmethoxybenzenehydroxycinnamic acidfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterpyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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