input word = C00043548

Metabolite InformationStructural formula
Name Grayanotoxin II
Formula C20H32O5
Mw 352.22497413
CAS RN 4678-44-8
C_ID C00043548 ,
InChIKey KEOQZUCOGXIEQR-CVCXQCIXNA-N
InChICode InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16-,18+,19-,20-/m0/s1
SMILES C1(=C)[C@H]2[C@]([C@@H](C[C@@]34[C@H]1CC[C@@H]([C@](C3)(C)O)[C@@H]4O)O)(C([C@H](C2)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle Ref.
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OrganismRhododendron molle
ReferenceChen,J.Nat.Prod.,67,(2004),1903