input word = C00027508

Metabolite InformationStructural formula
Name 2'-O-trans-Feruloylalangiside
(-)-2'-O-trans-Feruloylalangiside
Formula C35H39NO13
Mw 681.24214034
CAS RN 173180-42-2
C_ID C00027508 ,
InChIKey LYCFERNUNULJBN-DUFAFILENA-N
InChICode InChI=1S/C35H39NO13/c1-4-19-21-13-23-20-14-25(39)27(45-3)12-18(20)9-10-36(23)33(43)22(21)16-46-34(19)49-35-32(31(42)30(41)28(15-37)47-35)48-29(40)8-6-17-5-7-24(38)26(11-17)44-2/h4-8,11-12,14,16,19,21,23,28,30-32,34-35,37-39,41-42H,1,9-10,13,15H2,2-3H3/b8-6+/t19-,21-,23+,28+,30+,31-,32+,34-,35-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)c(OC)c2)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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