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 CCC(=O)OC1C(OC(C)=O)C2(O)C(CC(O)C2(C)C)C(C)(O)C2CCC3C(O)C12CC3(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePieris formosa Ref.
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