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@@H]1([C@H]([C@@H]([C@@]2([C@@]3(C1=C)[C@@H](C[C@H]2c1ccoc1)O3)C)OC(=O)[C@H](O)[C@@H](CC)C)OC=O)[C@@]1(C=CC(=O)O[C@]([C@@H]1CC(=O)OC)(C)COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera Ref.
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OrganismCipadessa baccifera
ReferenceLin,J.Nat.Prod.,71,(2008),628