input word = C00026669

Metabolite InformationStructural formula
Name Macrodasine B
Formula C26H32N2O5
Mw 452.23112215
CAS RN 714915-08-9
C_ID C00026669 ,
InChIKey SIUVLTXMJUQAMG-GHSDGOIZNA-N
InChICode InChI=1S/C26H32N2O5/c1-25-19(11-26(33-25)23(30)8-14(12-29)32-26)16-9-22-24-17(10-21(27(22)2)18(16)13-31-25)15-6-4-5-7-20(15)28(24)3/h4-7,14,16,18-19,21-22,29H,8-13H2,1-3H3/t14-,16-,18-,19+,21+,22+,25+,26-/m1/s1
SMILES N1([C@@H]2c3c(c4c(n3C)cccc4)C[C@H]1[C@H]1[C@@H](C2)[C@H]2[C@@](OC1)(O[C@]1(C2)C(=O)C[C@@H](O1)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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OrganismAlstonia macrophylla
ReferenceKam,Tetrahedron,60,(2004),3957