input word = C00032828

Metabolite InformationStructural formula
Name Cilistol p
Formula C34H54O12
Mw 654.36152719
CAS RN 353275-35-1
C_ID C00032828 ,
InChIKey TVYDUTRHCCOMJI-PLHHTMDZNA-N
InChICode InChI=1S/C34H54O12/c1-15(20-13-30(3,41)32(5,42)28(45-20)46-27-26(40)25(39)24(38)21(14-35)44-27)34(43)9-7-18-17-11-23(37)33-12-16(33)10-22(36)31(33,4)19(17)6-8-29(18,34)2/h15-21,23-28,35,37-43H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,20-,21-,23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33+,34+/m1/s1
SMILES C[C@H]([C@H]1C[C@@](C)(O)[C@](C)(O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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