input word = C00006649

Metabolite InformationStructural formula
Name Pelargonidin 3-sophoroside-7-glucoside
Formula C33H41O20
Mw 757.21911875
CAS RN 86279-08-5
C_ID C00006649 ,
InChIKey BJOPHLFZGFZTLP-XPIYMGPJNA-O
InChICode InChI=1S/C33H40O20/c34-8-18-21(39)24(42)27(45)31(50-18)47-13-5-15(38)14-7-17(29(48-16(14)6-13)11-1-3-12(37)4-2-11)49-33-30(26(44)23(41)20(10-36)52-33)53-32-28(46)25(43)22(40)19(9-35)51-32/h1-7,18-28,30-36,39-46H,8-10H2,(H-,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)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
PlantaeIridaceaeWatsonia meriana Ref.
PlantaeIridaceaeWatsonia rosea Ref.
PlantaeIridaceaeWatsonia tabularis Ref.
PlantaePapaveraceaePapaver argemone Ref.
PlantaePapaveraceaePapaver nudicaule Ref.
PlantaePapaveraceaePapaver orientale Ref.
zoom in