input word = C00040807

Metabolite InformationStructural formula
Name 28-Deoxonimbolide
Formula C27H32O6
Mw 452.21988875
CAS RN 126005-94-5
C_ID C00040807 ,
InChIKey CWGBIWRWBCYASK-MMHJVRDONA-N
InChICode InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16-,17-,18-,22-,23-,24-,25?,26+,27-/m1/s1
SMILES [C@H]12[C@]([C@@H]([C@@]3([C@@H]4[C@H]1OC[C@]4(C=CC3=O)C)C)CC(=O)OC)(C1=C([C@@H](C[C@H]1O2)c1ccoc1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeOwenia cepiodora Ref.
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OrganismOwenia cepiodora
ReferenceMulholland,Phytochem.,49,(1998),2457