CID 131751771

Myricetin 3-(6-acetylgalactoside)

Structural Information

Molecular Formula
C23H22O14
SMILES
CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI
InChI=1S/C23H22O14/c1-7(24)34-6-14-17(30)19(32)20(33)23(36-14)37-22-18(31)15-10(26)4-9(25)5-13(15)35-21(22)8-2-11(27)16(29)12(28)3-8/h2-5,14,17,19-20,23,25-30,32-33H,6H2,1H3
InChIKey
SVRJGKAZQHHOSZ-UHFFFAOYSA-N
Compound name
[6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.10095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.10823 216.7
[M+Na]+ 545.09017 218.1
[M+NH4]+ 540.13477 217.0
[M+K]+ 561.06411 222.3
[M-H]- 521.09367 210.4
[M+Na-2H]- 543.07562 235.0
[M]+ 522.10040 214.8
[M]- 522.10150 214.8
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.