input word = C00006672

Metabolite InformationStructural formula
Name Cyanidin 3-(2G-glucosylrutinoside)
Formula C33H41O20+
Mw 757.21911875
CAS RN 34443-62-4
C_ID C00006672 ,
InChIKey MSUVUDCULKNUJL-FEWNAIILNA-O
InChICode InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1/t10-,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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAceraceaeDipteronia sinensis Ref.
PlantaeAdoxaceaeViburnum lantana L. Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana L. Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus suecica Ref.
PlantaeGrossulariaceaeRibes rubrum Ref.
PlantaeRosaceaeRubus idaeus L. Ref.
PlantaeSapindaceaeAcer buergerianum Ref.
PlantaeSapindaceaeAcer circumlobatum Ref.
PlantaeSapindaceaeAcer ornatum Ref.
PlantaeSapindaceaeAcer palmatum Ref.
PlantaeSapindaceaeAcer sieboldianum Ref.
zoom in



OrganismRibes rubrum
ReferenceGrove, K.E. et al., JCS, 1934, 1608-1611 (Mecocyanin)