input word = C00006683

Metabolite InformationStructural formula
Name Peonidin 3-sambubioside
Formula C27H31O15
Mw 595.16629532
CAS RN 80950-34-1
C_ID C00006683 ,
InChIKey PYUGATAPBPHGFK-BPFTUOAJNA-O
InChICode InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19+,20-,21+,22-,23+,25-,26+,27+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeMelastomataceaeTibouchina grandiflora Ref.
zoom in