input word = C00005820

Metabolite InformationStructural formula
Name Sagittatoside B
Formula C32H38O14
Mw 646.22615592
CAS RN 118525-36-3
C_ID C00005820 ,
InChIKey BVDGQVAUJNUPGW-VFMDWOJONA-N
InChICode InChI=1S/C32H38O14/c1-13(2)5-10-17-18(33)11-19(34)21-24(38)29(27(44-28(17)21)15-6-8-16(41-4)9-7-15)45-32-30(25(39)22(36)14(3)43-32)46-31-26(40)23(37)20(35)12-42-31/h5-9,11,14,20,22-23,25-26,30-37,39-40H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26+,30-,31-,32-/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)C)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
zoom in