CID 45359599

6-glucosyl-3,4',5,7-tetrahydroxyflavanone

Structural Information

Molecular Formula
C21H22O11
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C(=C3O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-6-11-14(25)17(28)19(30)21(32-11)12-9(24)5-10-13(15(12)26)16(27)18(29)20(31-10)7-1-3-8(23)4-2-7/h1-5,11,14,17-26,28-30H,6H2/t11-,14-,17+,18+,19-,20-,21?/m1/s1
InChIKey
SPSWAOUJDYQZHR-OIKOUPSRSA-N
Compound name
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1162 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.123476 204.1
[M+Na]+ 473.105418 209.2
[M-H]- 449.108924 206.6
[M+NH4]+ 468.150023 206.0
[M+K]+ 489.079358 208.9
[M+H-H2O]+ 433.113460 195.6
[M+HCOO]- 495.114401 207.2
[M+CH3COO]- 509.130051 224.7
[M+Na-2H]- 471.090866 201.0
[M]+ 450.11565142 202.2
[M]- 450.11674858 202.2
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.