| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:56 UTC |
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| Update Date | 2025-03-21 18:30:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083620 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C11H17NO5S |
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| Molecular Mass | 275.0827 |
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| SMILES | COc1cc(CCN(C)C)ccc1OS(=O)(=O)O |
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| InChI Key | PYEDURUIBHQTMO-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenethylaminesphenoxy compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenethylaminephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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