input word = C00006792

Metabolite InformationStructural formula
Name Cyanidin 3-(4''-acetylglucoside)
Formula C23H23O12
Mw 491.1189512
CAS RN 88395-42-0
C_ID C00006792 ,
InChIKey WCYSXTJZNKVDKY-KNVAGDDLNA-O
InChICode InChI=1S/C23H22O12/c1-9(25)32-22-18(8-24)35-23(20(31)19(22)30)34-17-7-12-14(28)5-11(26)6-16(12)33-21(17)10-2-3-13(27)15(29)4-10/h2-7,18-20,22-24,30-31H,8H2,1H3,(H3-,26,27,28,29)/p+1/t18-,19-,20-,22-,23-/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)OC(=O)C)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
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