| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:36 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5S |
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| Molecular Mass | 271.0514 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2CC(O)C=N2)c1 |
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| InChI Key | INJBSTNQQOASNF-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 | azacyclic compoundshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundiminepropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundpyrrolineorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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