CID 465190

Taxifolin 6 c-glucoside

Structural Information

Molecular Formula
C22H24O11
SMILES
C[C@@H]1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C22H24O11/c1-7-16(27)15-12(32-21(7)8-2-3-9(24)10(25)4-8)5-11(26)14(18(15)29)22-20(31)19(30)17(28)13(6-23)33-22/h2-5,7,13,17,19-26,28-31H,6H2,1H3/t7-,13?,17?,19?,20?,21-,22?/m0/s1
InChIKey
LLUXQXAZCRDFQO-CGSORZMHSA-N
Compound name
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methyl-6-[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

464.13187 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13915 209.7
[M+Na]+ 487.12109 215.1
[M-H]- 463.12459 212.3
[M+NH4]+ 482.16569 211.2
[M+K]+ 503.09503 214.8
[M+H-H2O]+ 447.12913 201.1
[M+HCOO]- 509.13007 212.3
[M+CH3COO]- 523.14572 229.2
[M+Na-2H]- 485.10654 205.3
[M]+ 464.13132 208.6
[M]- 464.13242 208.6
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.