| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:09:48 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | HMDB0133462 |
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| Metabolite Identification |
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| DeepMet ID | DMID00085669 |
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| Name | 1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | COc1cc(C=CC(=O)CO)ccc1O |
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| InChI Key | NPMHZTTYMXAUIV-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 compoundsalcohols and polyolsalkyl aryl ethersalpha-hydroxy ketonesanisolesenoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideenonealcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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