input word = C00006716

Metabolite InformationStructural formula
Name Delphinidin 3-sophoroside-5-glucoside
Formula C33H41O22
Mw 789.208948
CAS RN 36547-37-2
C_ID C00006716 ,
InChIKey JKIDZSBNUJBLGC-FXULKNRJNA-O
InChICode InChI=1S/C33H40O22/c34-6-17-21(41)24(44)27(47)31(52-17)50-15-4-10(37)3-14-11(15)5-16(29(49-14)9-1-12(38)20(40)13(39)2-9)51-33-30(26(46)23(43)19(8-36)54-33)55-32-28(48)25(45)22(42)18(7-35)53-32/h1-5,17-19,21-28,30-36,41-48H,6-8H2,(H3-,37,38,39,40)/p+1/t17-,18-,19+,21-,22-,23-,24+,25+,26+,27+,28-,30-,31-,32+,33-/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)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
PlantaeFabaceaeLathyrus spp. Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeLabiataeAjuga reptans Ref.
zoom in