input word = C00006866

Metabolite InformationStructural formula
Name Peonidin 3-(6'-malonylglucoside)-5-glucoside
Formula C31H35O19
Mw 711.17725394
CAS RN 651768-32-0
C_ID C00006866 ,
InChIKey AEMHVTCADJQUIP-LJGAITSDNA-O
InChICode InChI=1S/C31H34O19/c1-44-17-4-11(2-3-14(17)34)29-18(48-31-28(43)26(41)24(39)20(50-31)10-45-22(37)8-21(35)36)7-13-15(46-29)5-12(33)6-16(13)47-30-27(42)25(40)23(38)19(9-32)49-30/h2-7,19-20,23-28,30-32,38-43H,8-10H2,1H3,(H2-,33,34,35,36)/p+1/t19-,20-,23+,24+,25+,26-,27-,28+,30-,31-/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)CC(=O)O)O)O)O)c1ccc(c(c1)OC)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
PlantaeAlliaceaeAllium cepa Ref.
PlantaeLabiataeLamium amplexicaule Ref.
PlantaeLabiataePrunella sp. Ref.
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