CID 73981627

Isolimocitrol 3-beta-d-glucoside

Structural Information

Molecular Formula
C24H26O14
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3
InChIKey
AMJOONKCBORCKA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-[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

538.13226 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.13954 223.7
[M+Na]+ 561.12148 233.9
[M+NH4]+ 556.16608 223.6
[M+K]+ 577.09542 227.4
[M-H]- 537.12498 226.0
[M+Na-2H]- 559.10693 239.5
[M]+ 538.13171 225.3
[M]- 538.13281 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.