PubChemLite - Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside (C33H40O19)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O

InChI

InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3

InChIKey

DDELFAUOHDSZJL-UHFFFAOYSA-N

Compound name

3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	741.22368	257.3
[M+Na]+	763.20562	257.5
[M+NH4]+	758.25022	257.4
[M+K]+	779.17956	264.7
[M-H]-	739.20912	251.4
[M+Na-2H]-	761.19107	278.9
[M]+	740.21585	255.7
[M]-	740.21695	255.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

741.22368

257.3

[M+Na]+

763.20562

257.5

[M+NH4]+

758.25022

257.4

[M+K]+

779.17956

264.7

[M-H]-

739.20912

251.4

[M+Na-2H]-

761.19107

278.9

[M]+

740.21585

255.7

[M]-

740.21695

255.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe