input word = C00048740

Metabolite InformationStructural formula
Name Iso-pseudopterosin E
Formula C26H38O6
Mw 446.26683895
CAS RN 1046779-95-6
C_ID C00048740 ,
InChIKey KPQRZOMZOFKSLE-SNLOTVFMNA-N
InChICode InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)21(27)25(18)32-26-24(30)23(29)22(28)15(6)31-26/h9,12-13,15-17,22-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15-,16-,17+,22+,23+,24-,26-/m0/s1
SMILES CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c(C)c1c32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia elisabethae Ref.
zoom in