input word = C00035882

Metabolite InformationStructural formula
Name Trimethylsqualene
Formula C33H56
Mw 452.43820179
CAS RN 827019-99-8
C_ID C00035882 ,
InChIKey DWXPRZBZUFAOIQ-WIRGQLKONA-N
InChICode InChI=1S/C33H56/c1-25(2)30(8)21-19-29(7)18-14-17-27(5)15-12-13-16-28(6)20-22-32(10)33(11)24-23-31(9)26(3)4/h15-16,18,30-32H,1,3,11-14,17,19-24H2,2,4-10H3/b27-15+,28-16+,29-18+/t30-,31-,32-/m0/s1
SMILES CC(=C)[C@H](CCC(=C)[C@H](CC/C(=C/CC/C=C(/CC/C=C(/CC[C@H](C)C(=C)C)\C)\C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDictyosphaeriaceaeBotryococcus braunii Ref.
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