input word = C00032831

Metabolite InformationStructural formula
Name Cilistol q
(-)-Cilistol q
Formula C34H50O10
Mw 618.34039782
CAS RN 344947-59-7
C_ID C00032831 ,
InChIKey YLFSQXACNXUGHD-HYCWHKMUNA-N
InChICode InChI=1S/C34H50O10/c1-17(22-15-31(3)33(5,44-31)29(42-22)43-28-27(39)26(38)25(37)23(16-35)41-28)34(40)14-12-20-19-10-9-18-7-6-8-24(36)32(18,4)21(19)11-13-30(20,34)2/h6,8-9,17,19-23,25-29,35,37-40H,7,10-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34+/m1/s1
SMILES C1=CCC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)CC[C@]1([C@H]3CC[C@@]1([C@@H]([C@@H]1O[C@H]([C@@]2([C@](C1)(O2)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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