input word = C00006692

Metabolite InformationStructural formula
Name Peonidin 3-rutinoside-5-glucoside
Formula C34H43O20
Mw 771.23476882
CAS RN 39824-85-6
C_ID C00006692 ,
InChIKey ABORBIAHEXNJQM-XQFPBPCXNA-O
InChICode InChI=1S/C34H42O20/c1-11-22(38)25(41)28(44)32(49-11)48-10-21-24(40)27(43)30(46)34(54-21)52-19-8-14-16(50-31(19)12-3-4-15(37)18(5-12)47-2)6-13(36)7-17(14)51-33-29(45)26(42)23(39)20(9-35)53-33/h3-8,11,20-30,32-35,38-46H,9-10H2,1-2H3,(H-,36,37)/p+1/t11-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,32-,33-,34-/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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis buxifolia Ref.
PlantaeGesneriaceaeSaintpaulia ionantha Ref.
PlantaeGesneriaceaeStreptocarpus spp. Ref.
PlantaeIridaceaeGladiolus gandavensis Ref.
PlantaeMagnoliaceaeMagnolia spp. Ref.
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