CID 162983848

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-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=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C23H24O11/c1-31-12-4-3-9(5-10(12)25)13-6-11(26)17-15(33-13)7-14(32-2)18(20(17)28)23-22(30)21(29)19(27)16(8-24)34-23/h3-7,16,19,21-25,27-30H,8H2,1-2H3/t16-,19-,21+,22-,23+/m1/s1
InChIKey
AADKXIMJEZKHCG-QJLVSEQISA-N
Compound name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-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]+ 477.139146 210.6
[M+Na]+ 499.121088 217.4
[M-H]- 475.124594 216.1
[M+NH4]+ 494.165693 212.8
[M+K]+ 515.095028 218.0
[M+H-H2O]+ 459.129130 200.8
[M+HCOO]- 521.130071 218.7
[M+CH3COO]- 535.145721 232.4
[M+Na-2H]- 497.106536 208.8
[M]+ 476.13132142 215.1
[M]- 476.13241858 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.