input word = C00026181

Metabolite InformationStructural formula
Name Acetyllasiocarpine N-oxide
4'-Acetyllasiocarpine N-oxide
Formula C23H35NO9
Mw 469.23118172
CAS RN 147802-42-4
C_ID C00026181 ,
InChIKey RNBFPTRMAOPUSS-ZJZDTPESNA-N
InChICode InChI=1S/C23H35NO9/c1-8-14(2)20(26)32-18-10-12-24(29)11-9-17(19(18)24)13-31-21(27)23(28,15(3)30-7)22(5,6)33-16(4)25/h8-9,15,18-19,28H,10-13H2,1-7H3/b14-8-/t15-,18-,19+,23-,24-/m0/s1
SMILES C1C[C@@H]([C@@H]2N1(=O)CC=C2COC(=O)[C@@]([C@@H](OC)C)(C(C)(C)OC(=O)C)O)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeHeliotropium europaeum Ref.
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OrganismHeliotropium europaeum
ReferenceLiddell,Nat.Prod.Rep.,18,(2001),441