CID 102121821

(e)-3-(4-hydroxy-3-methoxyphenyl)-1-[2-hydroxy-3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Structural Information

Molecular Formula
C23H26O11
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)O)O
InChI
InChI=1S/C23H26O11/c1-31-16-9-11(4-7-14(16)26)3-6-13(25)12-5-8-15(22(32-2)18(12)27)33-23-21(30)20(29)19(28)17(10-24)34-23/h3-9,17,19-21,23-24,26-30H,10H2,1-2H3/b6-3+/t17-,19-,20+,21-,23-/m1/s1
InChIKey
LIYUMMBCLLSJKG-DDLYGBJKSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[2-hydroxy-3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.14752 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.15480 208.2
[M+Na]+ 501.13674 212.1
[M-H]- 477.14024 211.0
[M+NH4]+ 496.18134 210.2
[M+K]+ 517.11068 211.6
[M+H-H2O]+ 461.14478 198.8
[M+HCOO]- 523.14572 217.2
[M+CH3COO]- 537.16137 229.8
[M+Na-2H]- 499.12219 203.3
[M]+ 478.14697 210.8
[M]- 478.14807 210.8
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.