CID 74978151

3-[(6-deoxy-alpha-l-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C22H22O10
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3
InChIKey
NUFNGCDVYZKSKE-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-methoxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

446.1213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 203.1
[M+Na]+ 469.11052 216.1
[M+NH4]+ 464.15512 206.5
[M+K]+ 485.08446 213.5
[M-H]- 445.11402 208.2
[M+Na-2H]- 467.09597 204.6
[M]+ 446.12075 206.2
[M]- 446.12185 206.2
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.