CID 42607964

5,7,3',4'-tetrahydroxy-6-c-methylflavanone 7-o-glucoside

Structural Information

Molecular Formula
C22H24O11
SMILES
CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C22H24O11/c1-8-13(32-22-21(30)20(29)19(28)16(7-23)33-22)6-15-17(18(8)27)12(26)5-14(31-15)9-2-3-10(24)11(25)4-9/h2-4,6,14,16,19-25,27-30H,5,7H2,1H3
InChIKey
FTKJSZFYBZXIDP-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methyl-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

0
Patents

464.13187 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13915 207.6
[M+Na]+ 487.12109 212.7
[M-H]- 463.12459 211.2
[M+NH4]+ 482.16569 209.6
[M+K]+ 503.09503 212.9
[M+H-H2O]+ 447.12913 198.8
[M+HCOO]- 509.13007 211.9
[M+CH3COO]- 523.14572 228.9
[M+Na-2H]- 485.10654 204.5
[M]+ 464.13132 207.7
[M]- 464.13242 207.7
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.