input word = C00057803

Metabolite InformationStructural formula
Name 2,2,3,4-Tetramethylpentane
Formula C9H20
Mw 128.15650064
CAS RN 1186-53-4
C_ID C00057803
InChIKey VZFMYOCAEQDWDY-UHFFFAOYSA-N
InChICode InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
SMILES CC(C)C(C)C(C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeOleaceaeJasminum sambac Ref.
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OrganismHumulus lupulus
ReferenceHellman, S. et al., Chem. Ber., 1983, 116, 2219 (synth, ir, pmr, cmr, ms)