input word = C00032830

Metabolite InformationStructural formula
Name Cilistol pm
Formula C35H56O12
Mw 668.37717725
CAS RN 353275-36-2
C_ID C00032830 ,
InChIKey QTOQLZOZLCKYND-BZLBIVSWNA-N
InChICode InChI=1S/C35H56O12/c1-16(21-14-31(3,41)33(5,42)29(46-21)47-28-27(40)26(39)25(38)22(15-36)45-28)35(43)10-8-19-18-12-24(44-6)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@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)[C@H]4C[C@@](C)(O)[C@](C)(O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)C(=O)C[C@@H]3C[C@]312
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