PubChemLite - Fukugetin (C30H20O11)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O

InChI

InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H

InChIKey

GFWPWSNIXRDQJC-UHFFFAOYSA-N

Compound name

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-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]+	557.10788	232.8
[M+Na]+	579.08982	240.3
[M-H]-	555.09332	241.6
[M+NH4]+	574.13442	231.3
[M+K]+	595.06376	240.2
[M+H-H2O]+	539.09786	220.5
[M+HCOO]-	601.09880	238.6
[M+CH3COO]-	615.11445	237.9
[M+Na-2H]-	577.07527	231.4
[M]+	556.10005	235.3
[M]-	556.10115	235.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.10788

232.8

[M+Na]+

579.08982

240.3

[M-H]-

555.09332

241.6

[M+NH4]+

574.13442

231.3

[M+K]+

595.06376

240.2

[M+H-H2O]+

539.09786

220.5

[M+HCOO]-

601.09880

238.6

[M+CH3COO]-

615.11445

237.9

[M+Na-2H]-

577.07527

231.4

[M]+

556.10005

235.3

[M]-

556.10115

235.3

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

Fukugetin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe