| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:08:38 UTC |
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| Update Date | 2025-03-21 18:30:36 UTC |
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| HMDB ID | HMDB0133442 |
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| Metabolite Identification |
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| DeepMet ID | DMID00082887 |
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| Name | 7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C20H20O6 |
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| Molecular Mass | 356.126 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)CCc2ccc(O)c(O)c2)ccc1O |
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| InChI Key | DPUBFKCIJHBAQY-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 | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativeshydroxycinnamic acidsketonesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesketonecinnamic acid or derivativesorganic oxideenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisolelinear 1,7-diphenylheptane skeletonphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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