| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:09 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O8S |
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| Molecular Mass | 368.0566 |
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| SMILES | O=S(=O)(O)Oc1cc(O)c2c(c1)C(c1ccc(O)c(O)c1)CC(O)C2 |
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| InChI Key | UPTHMBYDZZOXBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfatesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholtetralinmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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