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]+ 417.11800 197.2
[M+Na]+ 439.09994 205.2
[M-H]- 415.10344 203.0
[M+NH4]+ 434.14454 202.1
[M+K]+ 455.07388 203.8
[M+H-H2O]+ 399.10798 188.4
[M+HCOO]- 461.10892 206.0
[M+CH3COO]- 475.12457 219.8
[M+Na-2H]- 437.08539 196.5
[M]+ 416.11017 197.9
[M]- 416.11127 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.