| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O8S |
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| Molecular Mass | 422.1035 |
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| SMILES | COc1cccc(CCC(=O)CC(=O)CCc2ccc(OS(=O)(=O)O)c(O)c2)c1 |
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| InChI Key | RWZQDHJNTYBBHY-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 benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketonephenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolelinear 1,7-diphenylheptane skeletonsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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