CID 131752607

Luteone 7-glucoside

Structural Information

Molecular Formula
C26H28O11
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
InChI
InChI=1S/C26H28O11/c1-11(2)3-5-14-17(36-26-25(34)24(33)23(32)19(9-27)37-26)8-18-20(21(14)30)22(31)15(10-35-18)13-6-4-12(28)7-16(13)29/h3-4,6-8,10,19,23-30,32-34H,5,9H2,1-2H3
InChIKey
DOIIPZVFYVWPPS-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5-hydroxy-6-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

516.16315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.17043 222.5
[M+Na]+ 539.15237 233.0
[M+NH4]+ 534.19697 223.5
[M+K]+ 555.12631 231.6
[M-H]- 515.15587 225.6
[M+Na-2H]- 537.13782 220.8
[M]+ 516.16260 224.4
[M]- 516.16370 224.4
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.