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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:11 UTC
Update Date2025-03-21 18:04:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048567
Frequency68.2
Structure
Chemical FormulaC20H30O3
Molecular Mass318.2195
SMILESCc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)C(=O)O)O2
InChI KeyFLXBUZUYPBRRAN-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
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methyl-branched fatty acids
  • 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
  • methyl-branched fatty acid
  • branched fatty acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound