Hmdb loader

Showing information for DMID02216693

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:39 UTC
Update Date2025-03-25 00:56:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216693
Frequency0.5
Structure
Chemical FormulaC14H16O4
Molecular Mass248.1049
SMILESCCC1CC(=Cc2ccc(O)c(OC)c2)C(=O)O1
InChI KeyNBLDYLLDLIVGQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • enoate esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organoheterocyclic compound
  • enoate ester
  • tetrahydrofuran
  • methoxybenzene
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound