CID 5488795

4h-1-benzopyran-4-one, 7-((6-deoxy-alpha-l-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-

Structural Information

Molecular Formula
C21H20O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H20O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-6-13(23)17-14(24)8-15(30-16(17)7-12)10-2-4-11(22)5-3-10/h2-9,18-23,25-27H,1H3/t9-,18-,19+,20+,21-/m0/s1
InChIKey
DCURCHSUQXPCGS-NNTGZONMSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

416.11072 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 195.6
[M+Na]+ 439.09994 203.2
[M-H]- 415.10344 202.3
[M+NH4]+ 434.14454 201.0
[M+K]+ 455.07388 202.4
[M+H-H2O]+ 399.10798 186.5
[M+HCOO]- 461.10892 206.1
[M+CH3COO]- 475.12457 219.8
[M+Na-2H]- 437.08539 196.1
[M]+ 416.11017 197.5
[M]- 416.11127 197.5
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.