input word = C00005584

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-rutinosyl-4'-O-beta-D-glucoside
Isorhamnetin 3-rutinoside-4'-glucoside
Formula C34H42O21
Mw 786.22185841
CAS RN 111393-97-6
C_ID C00005584 ,
InChIKey CIMIDTVULPXVNY-UPEGFJTJNA-N
InChICode InChI=1S/C34H42O21/c1-10-20(38)24(42)27(45)32(50-10)49-9-18-22(40)26(44)29(47)34(54-18)55-31-23(41)19-13(37)6-12(36)7-16(19)51-30(31)11-3-4-14(15(5-11)48-2)52-33-28(46)25(43)21(39)17(8-35)53-33/h3-7,10,17-18,20-22,24-29,32-40,42-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21-,22-,24-,25-,26+,27-,28+,29-,32+,33+,34-/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]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza linifolia Ref.
PlantaeCactaceaeOpuntia ficus-indica var.saboten Ref.
PlantaeEuphorbiaceaeMercurialis annua Ref.
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