input word = C00005445

Metabolite InformationStructural formula
Name Primflaside
Formula C31H36O20
Mw 728.17999359
CAS RN 38424-92-9
C_ID C00005445 ,
InChIKey AYMOCTZRRTZPKB-GUNPFKRHNA-N
InChICode InChI=1S/C31H36O20/c32-6-16-20(40)28(51-29-23(43)19(39)14(38)8-45-29)31(47-16)49-26-17(7-33)48-30(24(44)22(26)42)50-27-21(41)18-13(37)4-10(34)5-15(18)46-25(27)9-1-2-11(35)12(36)3-9/h1-5,14,16-17,19-20,22-24,26,28-40,42-44H,6-8H2/t14-,16-,17+,19-,20+,22+,23-,24+,26+,28+,29-,30-,31+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula turkestanica Ref.
zoom in