input word = C00013564

Metabolite InformationStructural formula
Name Delphinidin 3-gentiobioside
Formula C27H31O17
Mw 627.15612457
CAS RN 55169-25-0
C_ID C00013564 ,
InChIKey WIIMVXRNTVGXEQ-SEGDPCCQNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES c12c([o+]c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)cc(cc2O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEugenia jambolana Ref.
PlantaePontederiaceaeEichhornia crassipes Ref.
zoom in



OrganismEugenia jambolana
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Ishikura,Bot.Mag.Tokyo,83,(1970),179

Jain,Indian J.,Chem.,13,(1975),20