Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:05 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105612
Frequency25.6
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCOc1cc(CC(=O)CC(C)C(=O)O)ccc1O
InChI KeySUKUQPYESXAULU-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
  • anisoles
  • carbocyclic fatty acids
  • carboxylic acids
  • fatty acyls
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • ketones
  • medium-chain keto acids and derivatives
  • methoxybenzenes
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • hydroxy fatty acid
  • methyl-branched fatty acid
  • methoxybenzene
  • branched fatty acid
  • gamma-keto acid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • keto acid
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound
  • medium-chain keto acid