input word = C00047721

Metabolite InformationStructural formula
Name Apigenosylide A
(+)-Apigenosylide A
Formula C43H54O18
Mw 858.33101492
CAS RN 1174167-29-3
C_ID C00047721 ,
InChIKey XEPGKURRHCDADR-YGPMMSQENA-N
InChICode InChI=1S/C43H54O18/c1-4-5-6-7-8-9-10-11-12-23-27-36-28(24(46)17-25(57-36)21-13-15-22(45)16-14-21)32(49)29(37(27)60-61-43(23)40(53)20(3)56-42(43)54)38-39(34(51)31(48)26(18-44)58-38)59-41-35(52)33(50)30(47)19(2)55-41/h13-17,19-20,23,26,30-31,33-35,38-39,41,44-45,47-52H,4-12,18H2,1-3H3/t19-,20+,23+,26+,30-,31+,33+,34-,35+,38-,39+,41-,43-/m0/s1
SMILES c12c(c(=O)cc(o1)c1ccc(cc1)O)c(c(c1c2[C@H]([C@]2(OO1)C(=O)[C@H](OC2=O)C)CCCCCCCCCC)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeMachilus japonica Ref.
zoom in