input word = C00006676

Metabolite InformationStructural formula
Name Cyanidin 3-rutinoside-3'-glucoside
Formula C33H41O20
Mw 757.21911875
CAS RN
C_ID C00006676 ,
InChIKey SPUXGEXEKQUUMW-CVUPGNDKNA-O
InChICode InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(37)5-12(35)6-16(13)49-30(18)11-2-3-14(36)17(4-11)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28+,29+,31+,32+,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAechmea weibachii leodiensis Ref.
PlantaeBromeliaceaeNidularium innocentii lineatum Ref.
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