Hmdb loader

Showing information for DMID02173594

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:52 UTC
Update Date2025-03-25 00:49:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173594
Frequency0.5
Structure
Chemical FormulaC22H34O4
Molecular Mass362.2457
SMILESCCC(CCCCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)O
InChI KeyBCQRPUVUGPABEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • heterocyclic fatty acid
  • fatty acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • branched fatty acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound