input word = C00047504

Metabolite InformationStructural formula
Name Meehanine D
(-)-Meehanine D
Formula C44H55N3O15
Mw 865.36331811
CAS RN 1149379-93-0
C_ID C00047504 ,
InChIKey HQVBKYXRRGKMLH-QJMJZXDPNA-N
InChICode InChI=1S/C44H55N3O15/c1-25-35(50)38(53)40(62-43-39(54)37(52)36(51)33(61-43)24-57-42(56)29-12-7-4-8-13-29)44(58-25)60-30-16-14-27(15-17-30)32-22-34(49)46-19-9-21-47(41(55)28-10-5-3-6-11-28)23-31(18-20-45-32)59-26(2)48/h3-8,10-17,25,31-33,35-40,43-45,50-54H,9,18-24H2,1-2H3,(H,46,49)/t25-,31-,32-,33+,35-,36-,37-,38+,39+,40+,43-,44-/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)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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