input word = C00050006

Metabolite InformationStructural formula
Name Asebotoxin V
Formula C25H40O9
Mw 484.26723288
CAS RN 33476-74-3
C_ID C00050006 ,
InChIKey JJRZRLHOOJBTFY-UHFFFAOYNA-N
InChICode InChI=1S/C25H40O9/c1-7-17(28)34-19-20(33-12(2)26)25(32)15(10-16(27)21(25,3)4)23(6,31)14-9-8-13-18(29)24(14,19)11-22(13,5)30/h13-16,18-20,27,29-32H,7-11H2,1-6H3/t13-,14+,15+,16+,18+,19+,20+,22-,23+,24-,25-/m0/s1
SMILES [C@@]1([C@@H]2[C@]([C@@H]([C@H]([C@]34[C@@H]1CC[C@H]([C@@](C3)(C)O)[C@H]4O)OC(=O)CC)OC(=O)C)(C([C@@H](C2)O)(C)C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePieris formosa Ref.
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OrganismPieris formosa
ReferenceWang,J.Nat.Prod.,61,(1998),1473