PubChemLite - Isoginkgetin (C32H22O10)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC

InChI

InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33-36H,1-2H3

InChIKey

HUOOMAOYXQFIDQ-UHFFFAOYSA-N

Compound name

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(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]+	567.12858	239.1
[M+Na]+	589.11052	259.3
[M+NH4]+	584.15512	243.4
[M+K]+	605.08446	251.8
[M-H]-	565.11402	249.3
[M+Na-2H]-	587.09597	245.9
[M]+	566.12075	245.2
[M]-	566.12185	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.12858

239.1

[M+Na]+

589.11052

259.3

[M+NH4]+

584.15512

243.4

[M+K]+

605.08446

251.8

[M-H]-

565.11402

249.3

[M+Na-2H]-

587.09597

245.9

[M]+

566.12075

245.2

[M]-

566.12185

245.2

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

Isoginkgetin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe