input word = C00005541

Metabolite InformationStructural formula
Name Isorhamnetin 3-xylosyl-(1->6)-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 142905-19-9
C_ID C00005541 ,
InChIKey HIRWMGZVIYIRJM-SNULDKOVNA-N
InChICode InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t13-,16+,18-,19+,21+,22-,23+,26-,27-/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[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus ladaniferus Ref.
zoom in