input word = C00057894

Metabolite InformationStructural formula
Name 1,2,4-Trimethylenecyclohexane
Formula C9H12
Mw 120.09390038
CAS RN 14296-81-2
C_ID C00057894
InChIKey AMBNQWVPTPHADI-UHFFFAOYSA-N
InChICode InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2
SMILES C=C1CCC(=C)C(=C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
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OrganismRibes nigrum
ReferenceBenson, R.E. et al., JACS, 1959, 81, 4247 (synth, pmr, glc, uv, ir)