input word = C00047510

Metabolite InformationStructural formula
Name Meehanine J
(-)-Meehanine J
Formula C40H61N3O15
Mw 823.4102683
CAS RN 1146139-50-5
C_ID C00047510 ,
InChIKey OTFKFFVPSWCTJU-GCPOCDEJNA-N
InChICode InChI=1S/C40H61N3O15/c1-7-21(3)37(51)43-17-9-15-42-30(45)18-28(41-16-14-27(19-43)55-24(6)44)25-10-12-26(13-11-25)56-40-36(34(49)31(46)23(5)54-40)58-39-35(50)33(48)32(47)29(57-39)20-53-38(52)22(4)8-2/h8,10-13,21,23,27-29,31-36,39-41,46-50H,7,9,14-20H2,1-6H3,(H,42,45)/b22-8+/t21-,23-,27-,28-,29+,31-,32+,33-,34+,35+,36+,39-,40-/m0/s1
SMILES C/C=C(C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc([C@@H]4CC(=O)NCCCN(C(=O)[C@@H](C)CC)C[C@H](OC(C)=O)CCN4)cc3)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLabiataeMeehania urticifolia Ref.
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