| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:40 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205058 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O5S |
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| Molecular Mass | 348.1031 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2COCC2Cc2ccccc2)c1 |
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| InChI Key | WOCPCWFBGHLSCC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | 9,9'-epoxylignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | dialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundtetrahydrofurandialkyl etherphenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-ester9,9p-epoxylignanhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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