| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:38 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135486 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C17H14O6 |
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| Molecular Mass | 314.079 |
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| SMILES | COc1cc(C=CC(=O)Oc2ccccc2C(=O)O)ccc1O |
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| InChI Key | CDBYHIMWXFHVSE-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacylsalicylic acidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenol estersphenoxy compounds |
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| Substituents | acylsalicylic acidfatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidenoate esterbenzoic acid or derivativesacylsalicylic acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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