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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:48:29 UTC
Update Date2025-03-21 18:01:48 UTC
HMDB IDHMDB0030302
Metabolite Identification
DeepMet IDDMID00034883
Name2,3,4-Trimethylhexane
Frequency102.7
Structure
Chemical FormulaC9H20
Molecular Mass128.1565
SMILESCCC(C)C(C)C(C)C
InChI KeyRUTNOQHQISEBGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbons
Classsaturated hydrocarbons
Subclass alkanes
Direct Parent branched alkanes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents Not Available
Substituents
  • aliphatic acyclic compound
  • branched alkane