input word = C00047502

Metabolite InformationStructural formula
Name Meehanine B
(-)-Meehanine B
Formula C40H57N3O14
Mw 803.38405355
CAS RN 1149379-89-4
C_ID C00047502 ,
InChIKey QZCPRWHWMRBQQI-UJHQEQPSNA-N
InChICode InChI=1S/C40H57N3O14/c1-4-22(2)37(51)43-18-8-16-42-30(45)19-28(41-17-15-26(44)20-43)24-11-13-27(14-12-24)55-40-36(34(49)31(46)23(3)54-40)57-39-35(50)33(48)32(47)29(56-39)21-53-38(52)25-9-6-5-7-10-25/h5-7,9-14,22-23,26,28-29,31-36,39-41,44,46-50H,4,8,15-21H2,1-3H3,(H,42,45)/t22-,23-,26-,28-,29+,31-,32+,33-,34+,35+,36+,39-,40-/m0/s1
SMILES C1N(CCCNC(=O)C[C@H](NCC[C@@H]1O)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)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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