CID 53232356

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C21H20O11
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C21H20O11/c1-7-13(25)15(27)17(29)21(30-7)32-19-11(24)6-10(23)12-14(26)16(28)18(31-20(12)19)8-2-4-9(22)5-3-8/h2-7,13,15,17,21-25,27-29H,1H3/t7-,13-,15+,17+,21-/m0/s1
InChIKey
PJZKCQPCHMMPJZ-LCAKQTEZSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10056 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.10784 202.5
[M+Na]+ 471.08978 209.9
[M-H]- 447.09328 207.2
[M+NH4]+ 466.13438 205.3
[M+K]+ 487.06372 210.1
[M+H-H2O]+ 431.09782 193.4
[M+HCOO]- 493.09876 209.9
[M+CH3COO]- 507.11441 225.3
[M+Na-2H]- 469.07523 201.3
[M]+ 448.10001 204.9
[M]- 448.10111 204.9
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.