input word = C00040766

Metabolite InformationStructural formula
Name 12-O-Methylnimbolinin B
Formula C36H48O10
Mw 640.32474775
CAS RN 220580-52-9
C_ID C00040766 ,
InChIKey WECTYIXOCLBPDD-GQRABLRENA-N
InChICode InChI=1S/C36H48O10/c1-10-18(2)33(39)46-32-30-31-34(6,17-42-30)26(43-20(4)37)15-27(44-21(5)38)35(31,7)25-14-28(40-9)45-24-13-23(22-11-12-41-16-22)19(3)29(24)36(25,32)8/h10-12,16,23-28,30-32H,13-15,17H2,1-9H3/b18-10+/t23-,24+,25-,26-,27+,28-,30-,31+,32-,34-,35+,36-/m1/s1
SMILES [C@]12([C@H](C[C@@H](O[C@@H]3C1=C([C@@H](C3)c1cocc1)C)OC)[C@@]1([C@H]3[C@H]([C@H]2OC(=O)/C(=C/C)/C)OC[C@@]3([C@@H](C[C@@H]1OC(=O)C)OC(=O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTurraea holstii Ref.
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