CID 44258064

Luteolin 7-xyloside

Structural Information

Molecular Formula
C20H18O10
SMILES
C1[C@H]([C@@H](C([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-10-2-1-8(3-11(10)22)15-6-13(24)17-12(23)4-9(5-16(17)30-15)29-20-19(27)18(26)14(25)7-28-20/h1-6,14,18-23,25-27H,7H2/t14-,18+,19?,20+/m1/s1
InChIKey
DKVCLOWHUOSJGW-RXOPEKHWSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

418.09 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.097276 193.5
[M+Na]+ 441.079218 200.7
[M-H]- 417.082724 199.0
[M+NH4]+ 436.123823 197.9
[M+K]+ 457.053158 200.2
[M+H-H2O]+ 401.087260 184.4
[M+HCOO]- 463.088201 202.9
[M+CH3COO]- 477.103851 218.0
[M+Na-2H]- 439.064666 194.4
[M]+ 418.08945142 194.8
[M]- 418.09054858 194.8
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.