CID 162863079

5-hydroxy-3,6-dimethoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C23H24O14
SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C(=C(C=C3)O)O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C23H24O14/c1-33-21-10(36-23-19(32)18(31)15(28)11(6-24)37-23)5-9-12(16(21)29)17(30)22(34-2)20(35-9)7-3-4-8(25)14(27)13(7)26/h3-5,11,15,18-19,23-29,31-32H,6H2,1-2H3/t11-,15-,18+,19-,23-/m1/s1
InChIKey
VRDVBYFMIGJXEG-VBUZMKOSSA-N
Compound name
5-hydroxy-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1166 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.12388 220.7
[M+Na]+ 547.10582 225.7
[M-H]- 523.10932 216.6
[M+NH4]+ 542.15042 222.3
[M+K]+ 563.07976 219.7
[M+H-H2O]+ 507.11386 211.8
[M+HCOO]- 569.11480 224.6
[M+CH3COO]- 583.13045 241.1
[M+Na-2H]- 545.09127 242.2
[M]+ 524.11605 229.7
[M]- 524.11715 229.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.