| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:18 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO5S |
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| Molecular Mass | 347.0827 |
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| SMILES | COc1cc(CCc2c[nH]c3ccccc23)ccc1OS(=O)(=O)O |
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| InChI Key | PBTRQQIGYKGBII-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretherindolealkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesmethoxybenzeneorganic oxygen compoundanisolepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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