CID 14756216

55394-98-4

Structural Information

Molecular Formula
C26H28O11
SMILES
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
InChI
InChI=1S/C26H28O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21,23,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,23-,26-/m1/s1
InChIKey
FJSOHLNMRNSYFR-RGLOOMPQSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.16315 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.17043 222.9
[M+Na]+ 539.15237 227.8
[M-H]- 515.15587 226.6
[M+NH4]+ 534.19697 222.7
[M+K]+ 555.12631 227.6
[M+H-H2O]+ 499.16041 213.2
[M+HCOO]- 561.16135 227.7
[M+CH3COO]- 575.17700 239.6
[M+Na-2H]- 537.13782 218.2
[M]+ 516.16260 225.3
[M]- 516.16370 225.3
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.