CID 14282776

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C21H22O11
SMILES
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2
InChIKey
UDIXYHJHYVDNOG-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

450.1162 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.123476 202.1
[M+Na]+ 473.105418 206.8
[M-H]- 449.108924 205.5
[M+NH4]+ 468.150023 204.4
[M+K]+ 489.079358 206.9
[M+H-H2O]+ 433.113460 193.2
[M+HCOO]- 495.114401 206.8
[M+CH3COO]- 509.130051 224.4
[M+Na-2H]- 471.090866 200.2
[M]+ 450.11565142 201.3
[M]- 450.11674858 201.3
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

patents stripe