| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:49 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O7S |
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| Molecular Mass | 274.0147 |
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| SMILES | O=C1CC(O)Cc2c(O)cc(OS(=O)(=O)O)cc21 |
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| InChI Key | JTIAAXQZCWVFJY-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 benzenoidsaryl alkyl ketonesarylsulfateshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholtetralinsulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidketoneorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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