PubChemLite - Kaempferol 4'-glucoside 7-rhamnoside (C27H30O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C27H30O15/c1-9-17(30)20(33)23(36)26(38-9)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(5-3-10)39-27-24(37)21(34)18(31)15(8-28)42-27/h2-7,9,15,17-18,20-21,23-24,26-31,33-37H,8H2,1H3

InChIKey

FYZRTNFFTKNBKH-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-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]+	595.16573	232.6
[M+Na]+	617.14767	233.3
[M+NH4]+	612.19227	232.5
[M+K]+	633.12161	239.1
[M-H]-	593.15117	226.1
[M+Na-2H]-	615.13312	251.5
[M]+	594.15790	230.5
[M]-	594.15900	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.16573

232.6

[M+Na]+

617.14767

233.3

[M+NH4]+

612.19227

232.5

[M+K]+

633.12161

239.1

[M-H]-

593.15117

226.1

[M+Na-2H]-

615.13312

251.5

[M]+

594.15790

230.5

[M]-

594.15900

230.5

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

Kaempferol 4'-glucoside 7-rhamnoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe