CID 74978072

Kaempferol 3-rhamnoside 4'-xyloside

Structural Information

Molecular Formula
C26H28O14
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)OC5C(C(C(CO5)O)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3
InChIKey
JNCDGNJMRRVEGE-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[4-(3,4,5-trihydroxyoxan-2-yl)oxyphenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 229.0
[M+Na]+ 587.13712 229.5
[M+NH4]+ 582.18172 228.7
[M+K]+ 603.11106 235.2
[M-H]- 563.14062 222.2
[M+Na-2H]- 585.12257 247.3
[M]+ 564.14735 226.7
[M]- 564.14845 226.7
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.