DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:05 UTC
Update Date	2025-03-21 18:34:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103187
Frequency	26.3
Structure
Chemical Formula	C₁₁H₁₅NO₆S
Molecular Mass	289.062
SMILES	Nc1ccccc1CC(O)CCC(=O)OS(=O)(=O)O
InChI Key	OLOYMONHKBDPLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzene and substituted derivatives
Direct Parent	benzene and substituted derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids and derivatives carbonyl compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary alcohols sulfuric acid monoesters
Substituents	alcohol monocyclic benzene moiety sulfuric acid monoester carbonyl group organic sulfuric acid or derivatives amino acid or derivatives carboxylic acid derivative aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound secondary alcohol organopnictogen compound hydrocarbon derivative primary amine organic nitrogen compound sulfuric acid ester amine organooxygen compound

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