input word = C00041512

Metabolite InformationStructural formula
Name Edulirin B
Formula C36H40N2O9
Mw 644.27338089
CAS RN 922149-06-2
C_ID C00041512 ,
InChIKey ADLZFRJWHFEYCQ-UDMAYWLGNA-N
InChICode InChI=1S/C36H40N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)36(22-12-14-23(43-3)15-13-22)34(41)35(30,42)29-24(47-36)18-25-31(32(29)44-4)46-19-45-25/h5-7,9-10,12-15,18,20,26,28,30,34,41-42H,8,11,16-17,19H2,1-4H3,(H,37,39)/t26-,28-,30+,34-,35+,36+/m1/s1
SMILES [C@]12([C@@H]([C@H]([C@@](c3c(O1)cc1c(c3OC)OCO1)([C@H]2O)O)C(=O)N1[C@H](CCC1)NC(=O)CC(C)C)c1ccccc1)c1ccc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia edulis Ref.
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