input word = C00037016

Metabolite InformationStructural formula
Name Delavaine B
Formula C38H54N2O11
Mw 714.37276058
CAS RN 109314-15-0
C_ID C00037016 ,
InChIKey VVIAIZXJXAAIDF-CYWFEWEFNA-N
InChICode InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-27(41)15-20(2)32(42)50-7)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)48-5)38(45,34(37)40)31(49-6)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,41)/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34-,35-,36+,37-,38+/m0/s1
SMILES N1(CC)C[C@]2([C@@H]3[C@@]4([C@H]1[C@]([C@H]3OC)([C@@]1([C@@H]3[C@H]4C[C@H]([C@H](C1)OC)[C@@H]3OC)O)O)[C@H](CC2)OC)COC(=O)c1c(cccc1)NC(=O)C[C@@H](C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium dissectum Ref.
PlantaeRanunculaceaeDelphinium fangshanense W.T. Ref.
zoom in