CID 101103673

(2s)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C22H24O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=O)C[C@H](OC3=C2)C4=CC(=C(C=C4)OC)O)O)O)O)O
InChI
InChI=1S/C22H24O10/c1-9-19(26)20(27)21(28)22(30-9)31-11-6-13(24)18-14(25)8-16(32-17(18)7-11)10-3-4-15(29-2)12(23)5-10/h3-7,9,16,19-24,26-28H,8H2,1-2H3/t9-,16-,19-,20+,21+,22-/m0/s1
InChIKey
SVQOEFMFPWOSRE-TTXDTJCDSA-N
Compound name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13693 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 203.7
[M+Na]+ 471.12615 209.4
[M-H]- 447.12965 209.7
[M+NH4]+ 466.17075 207.7
[M+K]+ 487.10009 209.7
[M+H-H2O]+ 431.13419 194.6
[M+HCOO]- 493.13513 211.0
[M+CH3COO]- 507.15078 227.7
[M+Na-2H]- 469.11160 201.8
[M]+ 448.13638 205.1
[M]- 448.13748 205.1
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.