| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:58 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O12S |
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| Molecular Mass | 436.0675 |
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| SMILES | O=C1CC(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)Cc2cc(O)cc(O)c21 |
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| InChI Key | HYLDTYCNABKGFS-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfatesaryl alkyl ketoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | tetralinsulfuric acid monoesteraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmonosaccharideketonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfateoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compoundaryl ketone |
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