input word = C00032818

Metabolite InformationStructural formula
Name Cilistol i
(-)-Cilistol i
Formula C35H58O11
Mw 654.3979127
CAS RN 331965-09-4
C_ID C00032818 ,
InChIKey AQNHOUSVKHBKKF-SNZZPQNJNA-N
InChICode InChI=1S/C35H58O11/c1-17(21-9-10-22-20-8-7-18-13-19(37)14-26(38)34(18,4)23(20)11-12-32(21,22)2)24-15-33(3,43-6)35(5,42)31(45-24)46-30-29(41)28(40)27(39)25(16-36)44-30/h7,17,19-31,36-42H,8-16H2,1-6H3/t17-,19+,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31-,32-,33+,34-,35+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@H]1O)C)CC[C@@]1([C@H]3CC[C@@H]1[C@@H]([C@H]1C[C@]([C@]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)O)(OC)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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