CID 14445197

6-[(2r,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C22H22O9
SMILES
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O
InChI
InChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-16(31-18)10-3-4-15(29-2)11(23)5-10/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3/t9-,14-,17-,21+/m1/s1
InChIKey
VOXHZFGNVVKUEG-IFBXYDTLSA-N
Compound name
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13365 201.0
[M+Na]+ 453.11559 209.0
[M-H]- 429.11909 207.9
[M+NH4]+ 448.16019 206.0
[M+K]+ 469.08953 208.1
[M+H-H2O]+ 413.12363 191.8
[M+HCOO]- 475.12457 211.0
[M+CH3COO]- 489.14022 224.3
[M+Na-2H]- 451.10104 200.3
[M]+ 430.12582 203.6
[M]- 430.12692 203.6
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.