CID 91666353

Luteolin 7-o-beta-d-glucoside-4'-(z-2-methyl-2-butenoate)

Structural Information

Molecular Formula
C26H26O12
SMILES
C/C=C(/C)\C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C26H26O12/c1-3-11(2)25(34)37-17-5-4-12(6-14(17)28)18-9-16(30)21-15(29)7-13(8-19(21)36-18)35-26-24(33)23(32)22(31)20(10-27)38-26/h3-9,20,22-24,26-29,31-33H,10H2,1-2H3/b11-3-/t20-,22-,23+,24-,26-/m1/s1
InChIKey
VEORDRJFZGGQLP-YQROEJBVSA-N
Compound name
[2-hydroxy-4-[5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenyl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.14246 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.14974 221.5
[M+Na]+ 553.13168 225.7
[M-H]- 529.13518 226.2
[M+NH4]+ 548.17628 220.8
[M+K]+ 569.10562 227.1
[M+H-H2O]+ 513.13972 211.5
[M+HCOO]- 575.14066 227.2
[M+CH3COO]- 589.15631 242.2
[M+Na-2H]- 551.11713 217.4
[M]+ 530.14191 225.2
[M]- 530.14301 225.2
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.