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.
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OrganismPuya alpestris
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Scogin,Biochem.Syst.Ecol.,13,(1985),387