input word = C00014849

Metabolite InformationStructural formula
Name Pelargonidin 3-(6-malonylglucoside)-7-glucoside
Formula C30H33O18
Mw 681.16668925
CAS RN 215237-89-1
C_ID C00014849 ,
InChIKey FWXROQWVMFXBGG-XSJGTIJBNA-O
InChICode InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)44-13-5-15(33)14-7-17(28(45-16(14)6-13)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19+,22+,23+,24-,25-,26+,27+,29+,30+/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)CC(=O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium hybridum Ref.
zoom in