input word = C00031515

Metabolite InformationStructural formula
Name 15-O-Deacetyl-15-O-methylnimbolidin B
Formula C37H50O11
Mw 670.33531244
CAS RN 872357-64-7
C_ID C00031515 ,
InChIKey MSOGCLLYGZKBRH-UEOLVEJINA-N
InChICode InChI=1S/C37H50O11/c1-11-19(2)34(41)48-33-31-32-35(6,18-45-31)27(46-21(4)38)16-28(47-22(5)39)36(32,7)26(15-29(40)43-10)37(33,8)30-20(3)24(14-25(30)42-9)23-12-13-44-17-23/h11-13,17,24-28,31-33H,14-16,18H2,1-10H3/b19-11+/t24-,25+,26-,27-,28+,31-,32+,33-,35-,36+,37-/m1/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)C)([C@H]([C@@]([C@@H]([C@@H]3OC2)OC(=O)/C(=C/C)/C)(C1=C([C@@H](C[C@@H]1OC)c1ccoc1)C)C)CC(=O)OC)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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