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.
PlantaeRosaceaeRubus idaeus L. Ref.
PlantaeSapindaceaeAcer buergerianum Ref.
PlantaeSapindaceaeAcer circumlobatum Ref.
PlantaeSapindaceaeAcer ornatum Ref.
PlantaeSapindaceaeAcer palmatum Ref.
PlantaeSapindaceaeAcer sieboldianum Ref.
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