input word = C00026158

Metabolite InformationStructural formula
Name 3'-Acetylheliosupine
Acetylcynoglossophine
Acetylheliosupine
Cynoglossophine acetate
Heliosupine 3'-acetate
Formula C22H33NO8
Mw 439.22061704
CAS RN 31514-30-4
C_ID C00026158 ,
InChIKey LHYJPODIMQKZHJ-WIHHUTLKNA-N
InChICode InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22+/m0/s1
SMILES C1C[C@@H]([C@@H]2N1CC=C2COC(=O)[C@]([C@@H](OC(=O)C)C)(C(C)(C)O)O)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCynoglossum officinale Ref.
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OrganismCynoglossum officinale
ReferenceLiddell,Nat.Prod.Rep.,15,(1998),363