input word = C00032829

Metabolite InformationStructural formula
Name Cilistol p1
Formula C35H56O12
Mw 668.37717725
CAS RN 387869-17-2
C_ID C00032829 ,
InChIKey WFEKSECTGHHFOF-BZLBIVSWNA-N
InChICode InChI=1S/C35H56O12/c1-16(21-14-31(3,44-6)33(5,42)29(46-21)47-28-27(41)26(40)25(39)22(15-36)45-28)35(43)10-8-19-18-12-24(38)34-13-17(34)11-23(37)32(34,4)20(18)7-9-30(19,35)2/h16-22,24-29,36,38-43H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21-,22-,24-,25-,26+,27-,28+,29+,30+,31-,32+,33-,34+,35+/m1/s1
SMILES CO[C@]1(C)C[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@]56C[C@H]5CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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OrganismSolanum cilistum
ReferenceZhu,Chem.Pharm.Bull.,49,(2001),1440