input word = C00054467

Metabolite InformationStructural formula
Name Amaranthoside
Formula C28H38O13
Mw 582.2312413
CAS RN 903574-30-1
C_ID C00054467
InChIKey PQQRNPDHSJDAGV-ZFHCLVBGSA-N
InChICode InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23-,25-,26+,28+/m0/s1
SMILES OC1=C(OC)C=C(C[C@@H](CO)[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H]3C4=CC(OC)=C(O)C(OC)=C4)C3=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAmaranthus spinosus Ref.
zoom in



OrganismAmaranthus spinosus
ReferenceFreudenberg, K. et al., Tet. Lett., no.17, 1959, 1, 19-22 (Dimethoxyisolariciresinol, 3,3',5,5'-Tetra-Me ether 9-xyloside)