input word = C00006719

Metabolite InformationStructural formula
Name Delphinidin 3,7,3'-triglucoside
Formula C33H41O22
Mw 789.208948
CAS RN 64963-58-2
C_ID C00006719 ,
InChIKey VHSJCOIXEZIXCZ-HRNBVMSZNA-O
InChICode InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)49-10-3-12(37)11-5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(50-14(11)4-10)9-1-13(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19+,21+,22+,23+,24-,25-,26-,27+,28-,29+,31+,32+,33+/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)c1cc(c(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio cruentus Ref.
PlantaeBromeliaceaePuya alpestris Ref.
PlantaeBromeliaceaePuya coerulea Ref.
PlantaeBromeliaceaePuya densiflora Ref.
PlantaeCommelinaceaeGibasis consobrina Ref.
PlantaeCommelinaceaeTradescantia spp. Ref.
zoom in