input word = C00028161

Metabolite InformationStructural formula
Name Delsemine B
Formula C37H53N3O10
Mw 699.37309494
CAS RN 66841-98-3
C_ID C00028161 ,
InChIKey ZWPGENPRTLGXDK-QQABXTFKNA-N
InChICode InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19-,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36+,37+/m1/s1
SMILES [C@@H]12C[C@H]3[C@@]45[C@@H]6N(C[C@@]([C@H]4[C@@H]([C@]6([C@]([C@H]3[C@H]2OC)(C[C@@H]1OC)O)O)OC)(CC[C@@H]5OC)COC(=O)c1c(cccc1)NC(=O)C[C@H](C(=O)N)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium majus Ref.
PlantaeRanunculaceaeDelphinium potaninii W.T.Wang Ref.
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