CID 16077447

4h-1-benzopyran-4-one, 3-[(6-deoxy-beta-d-mannopyranosyl)oxy]-5,7-dihydroxy-

Structural Information

Molecular Formula
C15H16O9
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
InChI
InChI=1S/C15H16O9/c1-5-11(18)13(20)14(21)15(23-5)24-9-4-22-8-3-6(16)2-7(17)10(8)12(9)19/h2-5,11,13-18,20-21H,1H3/t5-,11-,13+,14+,15+/m1/s1
InChIKey
XCVOCJFOQNDTNC-SWYWMWBNSA-N
Compound name
5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.07944 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08672 172.7
[M+Na]+ 363.06866 181.1
[M-H]- 339.07216 176.4
[M+NH4]+ 358.11326 181.6
[M+K]+ 379.04260 180.9
[M+H-H2O]+ 323.07670 165.6
[M+HCOO]- 385.07764 184.1
[M+CH3COO]- 399.09329 203.9
[M+Na-2H]- 361.05411 174.9
[M]+ 340.07889 174.8
[M]- 340.07999 174.8
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.