Hmdb loader

Showing information for DMID00080084

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:27 UTC
Update Date2025-03-21 18:29:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080084
Frequency36.3
Structure
Chemical FormulaC16H22O4
Molecular Mass278.1518
SMILESCOC(=O)CCC1(C)CCc2cc(O)c(C)c(C)c2O1
InChI KeyYVFRTAHRUAYVRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound