CID 14375127

3',5,6-trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside

Structural Information

Molecular Formula
C25H28O14
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C25H28O14/c1-33-11-7-9(5-6-10(11)27)19-24(39-25-17(31)16(30)14(28)12(8-26)37-25)15(29)13-20(34-2)22(35-3)18(32)23(36-4)21(13)38-19/h5-7,12,14,16-17,25-28,30-32H,8H2,1-4H3
InChIKey
HGPJRAPODVOCLC-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5,6,8-trimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.1479 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.15518 227.5
[M+Na]+ 575.13712 238.1
[M+NH4]+ 570.18172 227.6
[M+K]+ 591.11106 237.9
[M-H]- 551.14062 230.3
[M+Na-2H]- 573.12257 243.5
[M]+ 552.14735 229.3
[M]- 552.14845 229.3
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

No patent data available for this compound.