| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:55 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O5 |
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| Molecular Mass | 314.1154 |
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| SMILES | COc1cc(C(O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |
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| InChI Key | AKTLJKZLFPSIAG-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-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesaromatic alcoholsbeta-hydroxy ketonesenonesfatty alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | aromatic alcoholfatty acylbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupetherb'-hydroxy-alpha,beta-unsaturated-ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketoneketoneorganic oxidefatty alcoholenonealcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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