input word = C00032822

Metabolite InformationStructural formula
Name Cilistol w
(-)-Cilistol w
Formula C29H48O10S
Mw 588.29681848
CAS RN 331965-12-9
C_ID C00032822 ,
InChIKey XQFDBLLELBBYJE-VGFMTFKZNA-N
InChICode InChI=1S/C29H48O10S/c1-16(22-15-26(3,37-6)28(5,32)24(31)38-22)29(33)12-10-20-19-8-7-17-13-18(39-40(34,35)36)14-23(30)27(17,4)21(19)9-11-25(20,29)2/h7,16,18-24,30-33H,8-15H2,1-6H3,(H,34,35,36)/t16-,18-,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-,29+/m1/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@@]1([C@@H]([C@@H]1O[C@@H]([C@]([C@](C1)(C)OC)(O)C)O)C)O)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
zoom in