CID 102120185

5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Structural Information

Molecular Formula
C23H24O11
SMILES
COC1=C(C(=C2C(=O)C=C(OC2=C1OC)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C23H24O11/c1-31-21-15(20-19(30)18(29)16(27)13(8-24)34-20)17(28)14-11(26)7-12(33-22(14)23(21)32-2)9-3-5-10(25)6-4-9/h3-7,13,16,18-20,24-25,27-30H,8H2,1-2H3/t13-,16-,18+,19-,20+/m1/s1
InChIKey
LRJVZJKYYZEITI-NLMIBYRWSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.13187 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.13915 210.6
[M+Na]+ 499.12109 217.4
[M-H]- 475.12459 216.1
[M+NH4]+ 494.16569 212.8
[M+K]+ 515.09503 218.0
[M+H-H2O]+ 459.12913 200.8
[M+HCOO]- 521.13007 218.7
[M+CH3COO]- 535.14572 232.4
[M+Na-2H]- 497.10654 208.8
[M]+ 476.13132 215.1
[M]- 476.13242 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.