PubChemLite - Diosmetin 8-c-(2''-rhamnosylglucoside) (C28H32O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-9-20(34)22(36)24(38)28(40-9)43-27-23(37)21(35)17(8-29)42-26(27)19-13(32)6-12(31)18-14(33)7-16(41-25(18)19)10-3-4-15(39-2)11(30)5-10/h3-7,9,17,20-24,26-32,34-38H,8H2,1-2H3

InChIKey

TZPXUQWBAIYNEA-UHFFFAOYSA-N

Compound name

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-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	235.0
[M+Na]+	631.16335	235.6
[M+NH4]+	626.20795	234.9
[M+K]+	647.13729	241.5
[M-H]-	607.16685	228.5
[M+Na-2H]-	629.14880	254.1
[M]+	608.17358	232.9
[M]-	608.17468	232.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.18141

235.0

[M+Na]+

631.16335

235.6

[M+NH4]+

626.20795

234.9

[M+K]+

647.13729

241.5

[M-H]-

607.16685

228.5

[M+Na-2H]-

629.14880

254.1

[M]+

608.17358

232.9

[M]-

608.17468

232.9

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

Diosmetin 8-c-(2''-rhamnosylglucoside)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe