CID 101633735

2-[4-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dimethoxyphenyl]-5,7-dihydroxychromen-4-one

Structural Information

Molecular Formula
C22H22O11
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@](CO2)(CO)O)O)OC)C3=CC(=O)C4=C(C=C(C=C4O3)O)O
InChI
InChI=1S/C22H22O11/c1-29-16-3-10(14-7-13(26)18-12(25)5-11(24)6-15(18)32-14)4-17(30-2)19(16)33-21-20(27)22(28,8-23)9-31-21/h3-7,20-21,23-25,27-28H,8-9H2,1-2H3/t20-,21-,22+/m0/s1
InChIKey
PYCASFDBZHCYGE-FDFHNCONSA-N
Compound name
2-[4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dimethoxyphenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1162 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12348 200.8
[M+Na]+ 485.10542 208.9
[M-H]- 461.10892 208.1
[M+NH4]+ 480.15002 208.0
[M+K]+ 501.07936 209.7
[M+H-H2O]+ 445.11346 193.7
[M+HCOO]- 507.11440 213.3
[M+CH3COO]- 521.13005 226.2
[M+Na-2H]- 483.09087 201.9
[M]+ 462.11565 208.6
[M]- 462.11675 208.6
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.