input word = C00039259

Metabolite InformationStructural formula
Name Genkwadaphnin-20-palmitate
Formula C50H64O11
Mw 840.44486289
CAS RN 260991-46-6
C_ID C00039259 ,
InChIKey LYYPJEFOTGICOP-FDLUIPGANA-N
InChICode InChI=1S/C50H64O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-38(51)56-31-46-42(58-46)39-43-48(32(2)3)41(57-44(53)35-25-20-18-21-26-35)34(5)49(39,37-30-33(4)40(52)47(37,55)45(46)54)61-50(59-43,60-48)36-27-22-19-23-28-36/h18-23,25-28,30,34,37,39,41-43,45,54-55H,2,6-17,24,29,31H2,1,3-5H3/t34-,37-,39+,41-,42+,43-,45-,46+,47-,48+,49+,50-/m1/s1
SMILES [C@]12(O[C@@H]3[C@H]4[C@]([C@@H]([C@H]([C@@]3(O1)C(=C)C)OC(=O)c1ccccc1)C)([C@H]1[C@]([C@@H]([C@@]3([C@H]4O3)COC(=O)CCCCCCCCCCCCCCC)O)(C(=O)C(=C1)C)O)O2)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides ssp.oleoides Ref.
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OrganismDaphne oleoides ssp.oleoides
ReferenceTaninaka,Phytochem.,52,(1999),1525