input word = C00006761

Metabolite InformationStructural formula
Name Pelargonidin 3-(6''-acetylglucoside)-5-glucoside
Formula C29H33O16
Mw 637.17686001
CAS RN
C_ID C00006761 ,
InChIKey MJVQNNAMTLJZPX-SFYWUSEQNA-O
InChICode InChI=1S/C29H32O16/c1-11(31)40-10-20-22(35)24(37)26(39)29(45-20)43-18-8-15-16(41-27(18)12-2-4-13(32)5-3-12)6-14(33)7-17(15)42-28-25(38)23(36)21(34)19(9-30)44-28/h2-8,19-26,28-30,34-39H,9-10H2,1H3,(H-,32,33)/p+1/t19-,20+,21+,22+,23-,24-,25-,26+,28+,29+/m0/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[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
PlantaeVerbenaceaeVerbena x hybrida Ref.
zoom in