input word = C00058630

Metabolite InformationStructural formula
Name Nimbolidin C
Formula C37H50O12
Mw 686.33022706
CAS RN 169056-26-2
C_ID C00058630
InChIKey OVMLYMIACVFLEH-SDSCJSQRSA-N
InChICode InChI=1S/C37H50O12/c1-18(2)34(42)49-33-31-32-35(7,17-45-31)27(47-21(5)39)15-28(48-22(6)40)36(32,8)26(14-29(41)43-10)37(33,9)30-19(3)24(23-11-12-44-16-23)13-25(30)46-20(4)38/h11-12,16,18,24-28,31-33H,13-15,17H2,1-10H3/t24-,25+,26-,27-,28+,31-,32+,33-,35-,36+,37-/m1/s1
SMILES COC(=O)C[C@H]1[C@](C)(C2=C(C)[C@H](c3ccoc3)C[C@@H]2OC(C)=O)[C@H](OC(=O)C(C)C)[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Ref.
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