input word = C00055118

Metabolite InformationStructural formula
Name Cyclosadol
Formula C31H52O
Mw 440.40181628
CAS RN 25850-61-7
C_ID C00055118
InChIKey BTLJUKNIXFTSMI-DFWJFPTDSA-N
InChICode InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h9,20,22-26,32H,10-19H2,1-8H3/b21-9+/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES C[C@@]12[C@](CC[C@@]2([C@H](C)C/C=C(C)/C(C)C)[H])(C)[C@]3([H])CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C5)[C@]35CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeZea mays Ref.
zoom in