Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:25 UTC
Update Date2025-03-21 18:38:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120960
Frequency21.5
Structure
Chemical FormulaC11H15NO8S
Molecular Mass321.0518
SMILESCOc1cc(C(CC(N)C(=O)O)OS(=O)(=O)O)ccc1O
InChI KeyQXGWHMUGTAEDNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl sulfates
  • alpha amino acids
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • sulfuric acid monoesters
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alpha-amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound