CID 21721992

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

Structural Information

Molecular Formula
C21H20O9
SMILES
C[C@H]1[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/C21H20O9/c1-8-17(25)19(27)20(28)21(29-8)16-12(24)7-14-15(18(16)26)11(23)6-13(30-14)9-2-4-10(22)5-3-9/h2-8,17,19-22,24-28H,1H3/t8-,17-,19+,20+,21-/m0/s1
InChIKey
XKRPUONZPKPBNX-ZOOKWPDTSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.117996 197.2
[M+Na]+ 439.099938 205.2
[M-H]- 415.103444 203.0
[M+NH4]+ 434.144543 202.1
[M+K]+ 455.073878 203.8
[M+H-H2O]+ 399.107980 188.4
[M+HCOO]- 461.108921 206.0
[M+CH3COO]- 475.124571 219.8
[M+Na-2H]- 437.085386 196.5
[M]+ 416.11017142 197.9
[M]- 416.11126858 197.9
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.