input word = C00006754

Metabolite InformationStructural formula
Name Pelargonidin 3-(6''-acetylglucoside)
Formula C23H23O11
Mw 475.12403658
CAS RN 138590-96-2
C_ID C00006754 ,
InChIKey SYFJGOZRUVEOJC-LANRGVTQNA-O
InChICode InChI=1S/C23H22O11/c1-10(24)31-9-18-19(28)20(29)21(30)23(34-18)33-17-8-14-15(27)6-13(26)7-16(14)32-22(17)11-2-4-12(25)5-3-11/h2-8,18-21,23,28-30H,9H2,1H3,(H2-,25,26,27)/p+1/t18-,19-,20+,21-,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)COC(=O)C)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena x hybrida Ref.
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