| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:55:46 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | HMDB0133443 |
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| Metabolite Identification |
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| DeepMet ID | DMID00052245 |
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| Name | 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione |
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| Frequency | 62.3 |
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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(CCC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O |
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| InChI Key | JHWYCBGLQSIUBE-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 ethersanisolesenonesgingerdioneshydrocarbon derivativeshydroxycinnamic acidsketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethergingerdione1-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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