input word = C00014791

Metabolite InformationStructural formula
Name Delphinidin 3-(2-xylosylgalactoside)-5-(6-acetylglucoside)
Formula C34H41O22
Mw 801.208948
CAS RN 328899-02-1
C_ID C00014791 ,
InChIKey BPKSCEYQFADAOR-ZGNBUJQTNA-O
InChICode InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1/t16-,20-,21+,23-,24-,25+,26-,27-,28+,29+,31-,32+,33+,34+/m0/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O[C@@H]4OC[C@@H](O)[C@H](O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum spp. Ref.
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