CID 13338920

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C20H18O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)16(18(15)26)20-19(27)17(25)12(24)7-28-20/h1-6,12,17,19-21,23-27H,7H2/t12-,17+,19-,20+/m1/s1
InChIKey
IWAWDKXYERYUIS-BFYTVJRJSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.0951 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10238 191.7
[M+Na]+ 425.08432 199.3
[M-H]- 401.08782 197.3
[M+NH4]+ 420.12892 196.9
[M+K]+ 441.05826 197.9
[M+H-H2O]+ 385.09236 183.0
[M+HCOO]- 447.09330 201.0
[M+CH3COO]- 461.10895 215.3
[M+Na-2H]- 423.06977 192.3
[M]+ 402.09455 191.6
[M]- 402.09565 191.6
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.