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 CCCCCCCCCC[C@@H]1c2c(c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OO[C@@]12C(=O)O[C@H](C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeMachilus japonica Ref.
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