input word = C00014790

Metabolite InformationStructural formula
Name Delphinidin 3-neohesperidoside-7-(6-malonylglucoside)
Formula C36H43O24
Mw 859.21442731
CAS RN 225650-02-2
C_ID C00014790 ,
InChIKey WFTCKFPYAPNNAQ-YLWNLTOWNA-O
InChICode InChI=1S/C36H42O24/c1-10-23(44)27(48)30(51)34(54-10)60-33-29(50)25(46)19(8-37)58-36(33)57-18-6-13-14(38)4-12(5-17(13)56-32(18)11-2-15(39)24(45)16(40)3-11)55-35-31(52)28(49)26(47)20(59-35)9-53-22(43)7-21(41)42/h2-6,10,19-20,23,25-31,33-37,44,46-52H,7-9H2,1H3,(H4-,38,39,40,41,42,45)/p+1/t10-,19+,20+,23-,25-,26-,27+,28-,29-,30-,31-,33-,34-,35+,36+/m0/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[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFelicia amelloides Ref.
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OrganismFelicia amelloides
ReferenceBloor,Phytochem.,50,(1999),1395