input word = C00011083

Metabolite InformationStructural formula
Name Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside)
Formula C25H25O14
Mw 549.12443051
CAS RN 749192-65-2
C_ID C00011083 ,
InChIKey MIYGQTFETYBMKF-SSSLJFBKNA-O
InChICode InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CCC(=O)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaePhragmites australis Ref.
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OrganismPhragmites australis
ReferenceFossen,Phytochem.,49,(1998),1065