PubChemLite - Quercetin 3-[rhamnosyl-(1->2)-alpha-l-arabinopyranoside] (C26H28O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(COC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O

InChI

InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3

InChIKey

IKTXLMAFUIXYTI-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxychromen-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]+	581.15008	229.6
[M+Na]+	603.13202	230.3
[M+NH4]+	598.17662	229.5
[M+K]+	619.10596	236.2
[M-H]-	579.13552	223.1
[M+Na-2H]-	601.11747	248.6
[M]+	580.14225	227.5
[M]-	580.14335	227.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.15008

229.6

[M+Na]+

603.13202

230.3

[M+NH4]+

598.17662

229.5

[M+K]+

619.10596

236.2

[M-H]-

579.13552

223.1

[M+Na-2H]-

601.11747

248.6

[M]+

580.14225

227.5

[M]-

580.14335

227.5

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

Quercetin 3-[rhamnosyl-(1->2)-alpha-l-arabinopyranoside]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe