input word = C00040879

Metabolite InformationStructural formula
Name Asebotoxin IV
Formula C23H38O8
Mw 442.25666819
CAS RN 33476-73-2
C_ID C00040879 ,
InChIKey UDJBPAUQWLWDFT-UHFFFAOYNA-N
InChICode InChI=1S/C23H38O8/c1-6-15(25)31-18-17(27)22-10-20(4,28)11(16(22)26)7-8-12(22)21(5,29)13-9-14(24)19(2,3)23(13,18)30/h11-14,16-18,24,26-30H,6-10H2,1-5H3/t11-,12+,13+,14+,16-,17+,18+,20+,21-,22-,23-/m0/s1
SMILES [C@H]12[C@]([C@@H]([C@H]([C@]34[C@@H]([C@]1(C)O)CC[C@H]([C@](C3)(C)O)[C@@H]4O)O)OC(=O)CC)(C([C@@H](C2)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePieris formosa Ref.
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