CID 131752266

Cyanidin 3-rhamnoside 5-glucoside

Structural Information

Molecular Formula
C27H31O15
SMILES
CC1C(C(C(C(O1)OC2=C([O+]=C3C=C(C=C(C3=C2)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1
InChIKey
MVXCPXSXBRABAU-UHFFFAOYSA-O
Compound name
2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

595.1663 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.17358 227.5
[M+Na]+ 618.15552 228.4
[M+NH4]+ 613.20012 227.6
[M+K]+ 634.12946 234.4
[M-H]- 594.15902 221.2
[M+Na-2H]- 616.14097 246.5
[M]+ 595.16575 225.6
[M]- 595.16685 225.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.