input word = C00047501

Metabolite InformationStructural formula
Name Meehanine A
(-)-Meehanine A
Formula C42H59N3O15
Mw 845.39461824
CAS RN 1149379-88-3
C_ID C00047501 ,
InChIKey JHASEUWJNLLPAL-DVRQOYKENA-N
InChICode InChI=1S/C42H59N3O15/c1-5-23(2)39(53)45-19-9-17-44-32(47)20-30(43-18-16-29(21-45)57-25(4)46)26-12-14-28(15-13-26)58-42-38(36(51)33(48)24(3)56-42)60-41-37(52)35(50)34(49)31(59-41)22-55-40(54)27-10-7-6-8-11-27/h6-8,10-15,23-24,29-31,33-38,41-43,48-52H,5,9,16-22H2,1-4H3,(H,44,47)/t23-,24-,29-,30+,31+,33-,34+,35-,36+,37+,38+,41-,42-/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)[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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