| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:55 UTC |
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| Update Date | 2025-03-21 18:37:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117448 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C11H17NO6S |
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| Molecular Mass | 291.0777 |
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| SMILES | COc1cc(C(O)CN(C)C)ccc1OS(=O)(=O)O |
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| InChI Key | BGMKKQQPKDDSOL-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 | 1,2-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesterstrialkylamines |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealcohol1,2-aminoalcoholtertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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