input word = C00005576

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside
Formula C34H42O21
Mw 786.22185841
CAS RN 128988-18-1
C_ID C00005576 ,
InChIKey DHJIWDVWKOINJA-WQJNICMPNA-N
InChICode InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)55-31-26(45)22(41)18(9-36)53-34(31)54-30-23(42)19-14(38)6-12(50-33-28(47)25(44)21(40)17(8-35)52-33)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17-,18+,20+,21+,22-,24-,25+,26+,27+,28-,31+,32+,33-,34+/m1/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)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeBlackstonia perfoliata Ref.
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