input word = C00047507

Metabolite InformationStructural formula
Name Meehanine G
(-)-Meehanine G
Formula C40H55N3O15
Mw 817.36331811
CAS RN 1149379-97-4
C_ID C00047507 ,
InChIKey DRLCTHNUDWWNCQ-ZALWXMMYNA-N
InChICode InChI=1S/C40H55N3O15/c1-4-31(46)43-18-8-16-42-30(45)19-28(41-17-15-27(20-43)55-23(3)44)24-11-13-26(14-12-24)56-40-37(35(50)32(47)22(2)54-40)58-39-36(51)34(49)33(48)29(57-39)21-53-38(52)25-9-6-5-7-10-25/h5-7,9-14,22,27-29,32-37,39-41,47-51H,4,8,15-21H2,1-3H3,(H,42,45)/t22-,27-,28-,29+,32-,33-,34-,35+,36+,37+,39-,40-/m0/s1
SMILES C1N(CCCNC(=O)C[C@H](NCC[C@@H]1OC(=O)C)c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)COC(=O)c1ccccc1)C(=O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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