DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:29 UTC
Update Date	2025-03-25 00:50:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181906
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅NO₅S
Molecular Mass	285.0671
SMILES	O=C(O)C(=Cc1ccccc1)NCCCS(=O)(=O)O
InChI Key	GNIZQEIEOZWMIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	cinnamic acids and derivatives
Direct Parent	cinnamic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid organosulfonic acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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