input word = C00033719

Metabolite InformationStructural formula
Name Chinensiolide E
(-)-Chinensiolide E
Formula C37H42O13
Mw 694.26254143
CAS RN 915096-33-2
C_ID C00033719 ,
InChIKey GDSPNUSHQQYFSK-CSVUVYKJNA-N
InChICode InChI=1S/C37H42O13/c1-18-24-12-13-37(3,45)25-16-26(19(2)30(25)33(24)50-35(18)44)47-36-34(49-29(41)15-21-6-10-23(39)11-7-21)32(43)31(42)27(48-36)17-46-28(40)14-20-4-8-22(38)9-5-20/h4-11,24-27,30-34,36,38-39,42-43,45H,1-2,12-17H2,3H3/t24-,25+,26-,27+,30-,31+,32-,33-,34+,36+,37+/m0/s1
SMILES [C@H]12[C@@H](CC[C@]([C@H]3[C@@H]1C(=C)[C@H](C3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)Cc1ccc(cc1)O)O)O)COC(=O)Cc1ccc(cc1)O)(O)C)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris chinensis Nakai Ref.
zoom in



OrganismIxeris chinensis Nakai
ReferenceZidorn,Phytochem.,69,(2008),2270