PubChemLite - Rhamnetin 3-(4-rhamnosylrhamnoside) (C28H32O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)O)C)O)O)O

InChI

InChI=1S/C28H32O15/c1-9-18(32)20(34)22(36)27(39-9)42-24-10(2)40-28(23(37)21(24)35)43-26-19(33)17-15(31)7-12(38-3)8-16(17)41-25(26)11-4-5-13(29)14(30)6-11/h4-10,18,20-24,27-32,34-37H,1-3H3

InChIKey

DGFGSUOQDJHNFL-UHFFFAOYSA-N

Compound name

3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-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]+	609.18141	238.5
[M+Na]+	631.16335	242.8
[M-H]-	607.16685	234.5
[M+NH4]+	626.20795	240.1
[M+K]+	647.13729	237.7
[M+H-H2O]+	591.17139	231.6
[M+HCOO]-	653.17233	242.0
[M+CH3COO]-	667.18798	246.0
[M+Na-2H]-	629.14880	262.1
[M]+	608.17358	248.7
[M]-	608.17468	248.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.18141

238.5

[M+Na]+

631.16335

242.8

[M-H]-

607.16685

234.5

[M+NH4]+

626.20795

240.1

[M+K]+

647.13729

237.7

[M+H-H2O]+

591.17139

231.6

[M+HCOO]-

653.17233

242.0

[M+CH3COO]-

667.18798

246.0

[M+Na-2H]-

629.14880

262.1

[M]+

608.17358

248.7

[M]-

608.17468

248.7

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

Rhamnetin 3-(4-rhamnosylrhamnoside)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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