input word = C00002377

Metabolite InformationStructural formula
Name Cyanidin 3,5,3'-triglucoside
Formula C33H41O21
Mw 773.21403338
CAS RN 88110-66-1
C_ID C00002377 ,
InChIKey ZOEXTKFPTHFWDY-BNWNPYSZNA-O
InChICode InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-,29+,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)O)O)O)c1ccc(c(c1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)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
PlantaeBromeliaceaeAechmea spp. Ref.
PlantaeBromeliaceaeAnanas comosus Ref.
PlantaeBromeliaceaeBillbergia buchholtzii Ref.
PlantaeBromeliaceaeCanistrum cyathiforme Ref.
PlantaeBromeliaceaeCryptanthus spp. Ref.
PlantaeBromeliaceaeFascicularia kirchoffiana Ref.
PlantaeBromeliaceaeNeoregelia spp. Ref.
PlantaeBromeliaceaeNidularium spp. Ref.
PlantaeBromeliaceaePitcairnia tabuliformis Ref.
PlantaeBromeliaceaeStreptocalyx poeppigii Ref.
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