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	258.6
[M+Na]+	763.20562	261.9
[M-H]-	739.20912	254.7
[M+NH4]+	758.25022	260.1
[M+K]+	779.17956	258.8
[M+H-H2O]+	723.21366	255.0
[M+HCOO]-	785.21460	261.5
[M+CH3COO]-	799.23025	265.0
[M+Na-2H]-	761.19107	284.3
[M]+	740.21585	268.2
[M]-	740.21695	268.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

741.22368

258.6

[M+Na]+

763.20562

261.9

[M-H]-

739.20912

254.7

[M+NH4]+

758.25022

260.1

[M+K]+

779.17956

258.8

[M+H-H2O]+

723.21366

255.0

[M+HCOO]-

785.21460

261.5

[M+CH3COO]-

799.23025

265.0

[M+Na-2H]-

761.19107

284.3

[M]+

740.21585

268.2

[M]-

740.21695

268.2

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