input word = C00014857

Metabolite InformationStructural formula
Name Peonidin 3-glucoside-5-(6''-acetylglucoside)
Formula C30H35O17
Mw 667.1874247
CAS RN
C_ID C00014857 ,
InChIKey VVZKXWGDULSESF-SKVKABCENA-O
InChICode InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20-,21+,22+,23+,24+,25+,26-,27-,29-,30-/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)O)O)O)c1cc(c(cc1)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC(=O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium dolomiticum Ref.
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