CID 74978064

Kaempferol 5-glucoside

Structural Information

Molecular Formula
C21H20O11
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2
InChIKey
ZSDLSQASILNAAH-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-[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

448.10056 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.107836 201.2
[M+Na]+ 471.089778 207.8
[M-H]- 447.093284 205.5
[M+NH4]+ 466.134383 203.7
[M+K]+ 487.063718 207.7
[M+H-H2O]+ 431.097820 191.9
[M+HCOO]- 493.098761 208.7
[M+CH3COO]- 507.114411 223.6
[M+Na-2H]- 469.075226 200.8
[M]+ 448.10001142 203.1
[M]- 448.10110858 203.1
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.