input word = C00028160

Metabolite InformationStructural formula
Name Delsemine A
Formula C37H53N3O10
Mw 699.37309494
CAS RN 66878-11-3
C_ID C00028160 ,
InChIKey NXAZXMKMGPWXII-QQABXTFKNA-N
InChICode InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)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,(H2,38,41)(H,39,42)/t19-,21-,22-,24+,25+,27-,28-,29-,30+,33+,34+,35-,36+,37-/m1/s1
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)C(C)CC(N)=O)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
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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