input word = C00006675

Metabolite InformationStructural formula
Name Cyanidin 3-rutinoside-5-glucoside
Formula C33H41O20
Mw 757.21911875
CAS RN 62024-14-0
C_ID C00006675 ,
InChIKey DFJZNAHUOVEDQB-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)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)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 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)O)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
PlantaeCaryophyllaceaeSilene dioica Ref.
PlantaeGeraniaceaeErodium sp. Ref.
PlantaeGesneriaceaeStreptocarpus spp. Ref.
PlantaeMalvaceaeHibiscus mutabilis Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeVitaceaeParthenocissus tricuspidata Ref.
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