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]+ 341.086716 172.7
[M+Na]+ 363.068658 181.1
[M-H]- 339.072164 176.4
[M+NH4]+ 358.113263 181.6
[M+K]+ 379.042598 180.9
[M+H-H2O]+ 323.076700 165.6
[M+HCOO]- 385.077641 184.1
[M+CH3COO]- 399.093291 203.9
[M+Na-2H]- 361.054106 174.9
[M]+ 340.07889142 174.8
[M]- 340.07998858 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.