input word = C00027509

Metabolite InformationStructural formula
Name 2'-O-trans-Sinapoylalangiside
Formula C36H41NO14
Mw 711.25270503
CAS RN 173180-45-5
C_ID C00027509 ,
InChIKey QLGORWJUSCXFTL-JLADTBMTNA-N
InChICode InChI=1S/C36H41NO14/c1-5-19-21-13-23-20-14-24(39)25(45-2)12-18(20)8-9-37(23)34(44)22(21)16-48-35(19)51-36-33(32(43)31(42)28(15-38)49-36)50-29(40)7-6-17-10-26(46-3)30(41)27(11-17)47-4/h5-7,10-12,14,16,19,21,23,28,31-33,35-36,38-39,41-43H,1,8-9,13,15H2,2-4H3/b7-6+/t19-,21-,23+,28+,31+,32-,33+,35-,36-/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/c2cc(OC)c(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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