input word = C00042479

Metabolite InformationStructural formula
Name Donbutocin
(+)-Donbutocin
Formula C35H66O6
Mw 582.48593984
CAS RN 216579-63-4
C_ID C00042479 ,
InChIKey GRCNFEURKCEQGN-OXXBBVSVNA-N
InChICode InChI=1S/C35H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-33(38)34(39)26-21-20-23-31(36)22-17-16-18-24-32(37)28-30-27-29(2)41-35(30)40/h27,29,31-34,36-39H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+/m0/s1
SMILES [C@@H]1(C=C(C(=O)O1)C[C@@H](CCCCC[C@H](CCCC[C@H]([C@H](CCCCCCCCCCCCCCCC)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeGoniothalamus donnaiensis Ref.
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OrganismGoniothalamus donnaiensis
ReferenceJiang,Phytochem.,49,(1998),769