| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:37 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234713 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O7S |
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| Molecular Mass | 396.1243 |
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| SMILES | O=S(=O)(O)Oc1ccc(CCC(O)CC(O)CCc2cccc(O)c2)cc1 |
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| InChI Key | FQTKBCWSSFXFGB-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 benzenoidshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsecondary alcohollinear 1,7-diphenylheptane skeletonsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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