input word = C00001637

Metabolite InformationStructural formula
Name Elatine(alkaloid)
Formula C38H50N2O10
Mw 694.34654583
CAS RN 26000-16-8
C_ID C00001637 ,
InChIKey KOWWOODYPWDWOJ-TVRLZXGINA-N
InChICode InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22-,23-,25+,26+,28-,29+,30-,31+,34+,35+,36-,37+,38-/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]6([C@@]([C@H]3OC)([C@H]4N(C2)CC)OCO6)C[C@@H]([C@H]([C@@H]5OC)C1)OC)OC(=O)c1c(cccc1)N1C(=O)C[C@H](C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium elatum Ref.
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