input word = C00039783

Metabolite InformationStructural formula
Name Mombasol
Formula C36H46O13
Mw 686.29384156
CAS RN 152340-79-9
C_ID C00039783 ,
InChIKey YRFRXISQCYTJMQ-RNGFLACSNA-N
InChICode InChI=1S/C36H46O13/c1-9-19(2)29(41)32(42)47-31-30(46-18-37)28(20(3)36-25(48-36)14-23(35(31,36)7)22-11-13-44-16-22)33(5)12-10-26(39)49-34(6,17-45-21(4)38)24(33)15-27(40)43-8/h10-13,16,18-19,23-25,28-31,41H,3,9,14-15,17H2,1-2,4-8H3/t19-,23+,24-,25-,28-,29-,30-,31+,33-,34-,35-,36-/m1/s1
SMILES C=C1[C@@H]([C@@]2(C)C=CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera Ref.
zoom in