CID 14779767

5,7-dihydroxy-6-methoxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(2,4,5-trimethoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C25H28O13
SMILES
COC1=CC(=C(C=C1C2=COC3=C(C(=C(C(=C3C2=O)O)OC)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
InChI
InChI=1S/C25H28O13/c1-33-11-6-13(35-3)12(34-2)5-9(11)10-8-37-23-15(17(10)27)19(29)25(36-4)20(30)16(23)24-22(32)21(31)18(28)14(7-26)38-24/h5-6,8,14,18,21-22,24,26,28-32H,7H2,1-4H3/t14-,18-,21+,22-,24+/m1/s1
InChIKey
WEXHTLNFLWZFMD-XRUSOFQVSA-N
Compound name
5,7-dihydroxy-6-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.153 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.16028 224.2
[M+Na]+ 559.14222 230.5
[M-H]- 535.14572 229.9
[M+NH4]+ 554.18682 224.1
[M+K]+ 575.11616 233.4
[M+H-H2O]+ 519.15026 213.6
[M+HCOO]- 581.15120 231.5
[M+CH3COO]- 595.16685 246.6
[M+Na-2H]- 557.12767 220.9
[M]+ 536.15245 232.9
[M]- 536.15355 232.9
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.