CID 90657785

Isorhamnetin 3-o-(6""-o-feruloyl)-glucoside

Structural Information

Molecular Formula
C32H30O15
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O
InChI
InChI=1S/C32H30O15/c1-42-20-9-14(3-6-17(20)34)4-8-24(37)44-13-23-26(38)28(40)29(41)32(46-23)47-31-27(39)25-19(36)11-16(33)12-22(25)45-30(31)15-5-7-18(35)21(10-15)43-2/h3-12,23,26,28-29,32-36,38,40-41H,13H2,1-2H3/b8-4+/t23-,26-,28+,29-,32+/m1/s1
InChIKey
ZMFSDFSWZVXOBB-OPULMQKPSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

654.15845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.16573 244.0
[M+Na]+ 677.14767 245.9
[M+NH4]+ 672.19227 244.8
[M+K]+ 693.12161 249.8
[M-H]- 653.15117 239.0
[M+Na-2H]- 675.13312 263.7
[M]+ 654.15790 243.0
[M]- 654.15900 243.0
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.