CID 162945926

5-hydroxy-2-[3-hydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one

Structural Information

Molecular Formula
C22H22O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O)O)O)O)O
InChI
InChI=1S/C22H22O10/c1-9-19(26)20(27)21(28)22(30-9)32-15-4-3-10(5-12(15)23)16-8-14(25)18-13(24)6-11(29-2)7-17(18)31-16/h3-9,19-24,26-28H,1-2H3/t9-,19-,20+,21+,22-/m0/s1
InChIKey
UQDIHJADFOWJCW-WQTMGKIFSA-N
Compound name
5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 202.9
[M+Na]+ 469.11052 210.4
[M-H]- 445.11402 209.7
[M+NH4]+ 464.15512 207.1
[M+K]+ 485.08446 210.5
[M+H-H2O]+ 429.11856 193.3
[M+HCOO]- 491.11950 213.0
[M+CH3COO]- 505.13515 226.9
[M+Na-2H]- 467.09597 202.5
[M]+ 446.12075 206.9
[M]- 446.12185 206.9
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.