input word = C00047505

Metabolite InformationStructural formula
Name Meehanine E
(-)-Meehanine E
Formula C41H57N3O15
Mw 831.37896817
CAS RN 1149379-94-1
C_ID C00047505 ,
InChIKey KKUATRRZGGKSHI-KQUGZWAONA-N
InChICode InChI=1S/C41H57N3O15/c1-4-9-32(47)44-19-8-17-43-31(46)20-29(42-18-16-28(21-44)56-24(3)45)25-12-14-27(15-13-25)57-41-38(36(51)33(48)23(2)55-41)59-40-37(52)35(50)34(49)30(58-40)22-54-39(53)26-10-6-5-7-11-26/h5-7,10-15,23,28-30,33-38,40-42,48-52H,4,8-9,16-22H2,1-3H3,(H,43,46)/t23-,28-,29+,30+,33-,34-,35-,36+,37+,38+,40-,41-/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)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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