input word = C00047511

Metabolite InformationStructural formula
Name Meehanine K
(-)-Meehanine K
Formula C39H61N3O15
Mw 811.4102683
CAS RN 1149380-17-5
C_ID C00047511 ,
InChIKey AHUIYJOKXAAVKY-WYCURVGPNA-N
InChICode InChI=1S/C39H61N3O15/c1-6-9-30(45)52-20-28-32(47)33(48)35(50)38(56-28)57-36-34(49)31(46)22(4)53-39(36)55-25-12-10-24(11-13-25)27-18-29(44)41-15-8-17-42(37(51)21(3)7-2)19-26(14-16-40-27)54-23(5)43/h10-13,21-22,26-28,31-36,38-40,46-50H,6-9,14-20H2,1-5H3,(H,41,44)/t21-,22-,26+,27+,28+,31-,32+,33-,34+,35+,36+,38-,39-/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)CCC)C(=O)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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