| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159957 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O12S |
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| Molecular Mass | 412.0675 |
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| SMILES | O=S(=O)(O)Oc1cc(CCOC2OC(CO)C(O)C(O)C2O)cc(O)c1O |
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| InChI Key | NSGLXLLYQZTNKA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesterstyrosols and derivatives |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidephenylsulfatesaccharideorganic oxideacetaltyrosol derivativeoxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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