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 CCCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc([C@@H]4CC(=O)NCCCN(C(=O)[C@@H](C)CC)C[C@H](OC(C)=O)CCN4)cc3)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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