Rutin Trihydrate
Rutin Trihydrate synonyms
Graphical representations:
View large 3D structure
Molecular Formula: C27H36O19
Natural Isotopic Abundance Mass: 664.563339999999
Mono-Isotopic Molecular Masses:
- C12N14: 664.185078932001
- C13N14: 691.275659558001
- C12N15: 664.185078932001
- C13N15: 691.275659558001
InChI string: InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
MMCD: cq_03156PubChem Compound (CID): 16218542
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)