input word = C00032825

Metabolite InformationStructural formula
Name Cilistol b
(+)-Cilistol b
Formula C29H42O5
Mw 470.30322445
CAS RN 344947-57-5
C_ID C00032825 ,
InChIKey JLPRPCIHUJESQL-ADXBLUKENA-N
InChICode InChI=1S/C29H42O5/c1-17(22-16-26(3)28(5,34-26)24(32-6)33-22)29(31)15-13-20-19-11-10-18-8-7-9-23(30)27(18,4)21(19)12-14-25(20,29)2/h7,9-10,17,19-22,24,31H,8,11-16H2,1-6H3/t17-,19+,20+,21+,22-,24+,25+,26+,27+,28-,29+/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)OC)C)O)C
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