input word = C00046629

Metabolite InformationStructural formula
Name Bearline
Formula C37H48N2O11
Mw 696.32581039
CAS RN 253337-82-5
C_ID C00046629 ,
InChIKey FFEZGPKGGQWAER-RBZAGMOTNA-N
InChICode InChI=1S/C37H48N2O11/c1-6-38-16-34(17-49-32(44)20-9-7-8-10-23(20)39-26(41)13-18(2)31(39)43)12-11-25(47-4)36-22-14-21-24(50-19(3)40)15-35(45,27(22)28(21)42)37(46,33(36)38)30(48-5)29(34)36/h7-10,18,21-22,24-25,27-30,33,42,45-46H,6,11-17H2,1-5H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
SMILES C1C[C@@]2([C@@H]3[C@@]4([C@H]1OC)[C@H]1[C@H]5[C@](C[C@@H]([C@H]([C@@H]5O)C1)OC(=O)C)([C@@]([C@H]3OC)([C@H]4N(C2)CC)O)O)COC(=O)c1ccccc1N1C(=O)[C@H](CC1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium nuttallianum Ref.
zoom in