input word = C00014860

Metabolite InformationStructural formula
Name Petunidin 3,7-di-glucoside
Formula C28H33O17
Mw 641.17177463
CAS RN 887330-48-5
C_ID C00014860 ,
InChIKey MNCKYQWHIPYWMI-FNWGWENCNA-O
InChICode InChI=1S/C28H32O17/c1-40-15-3-9(2-13(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-12(31)4-10(5-14(11)42-26)41-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1/t17-,18-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeCrocus antalyensis Ref.
zoom in