input word = C00047509

Metabolite InformationStructural formula
Name Meehanine I
(-)-Meehanine I
Formula C38H61N3O14
Mw 783.41535368
CAS RN 1149380-15-3
C_ID C00047509 ,
InChIKey LAKJMQZPQITUGL-WUJMQKKQNA-N
InChICode InChI=1S/C38H61N3O14/c1-6-20(3)35(49)41-16-8-14-40-28(43)17-26(39-15-13-24(42)18-41)23-9-11-25(12-10-23)53-38-34(32(47)29(44)22(5)52-38)55-37-33(48)31(46)30(45)27(54-37)19-51-36(50)21(4)7-2/h9-12,20-22,24,26-27,29-34,37-39,42,44-48H,6-8,13-19H2,1-5H3,(H,40,43)/t20-,21-,22-,24-,26+,27+,29-,30+,31-,32+,33+,34+,37-,38-/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)[C@@H](C)CC)C(=O)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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