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



OrganismPisum sativum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Statham,Phytochem.,11,(1972),1083

Ishikura,Bot.Mag.Tokyo,88,(1975),41