PubChemLite - 5-hydroxy-7,4'-dimethoxy-6,8-di-c-prenylflavanone 5-o-galactoside (C25H30O10)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=C(C(=C1OC)C)OC3C(C(C(C(O3)CO)O)O)O)C(=O)CC(O2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30O10/c1-11-22(32-4)12(2)24(35-25-21(30)20(29)19(28)17(10-26)34-25)18-15(27)9-16(33-23(11)18)13-5-7-14(31-3)8-6-13/h5-8,16-17,19-21,25-26,28-30H,9-10H2,1-4H3

InChIKey

AQXMPPOEJPDCFL-UHFFFAOYSA-N

Compound name

7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-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]+	491.19118	217.2
[M+Na]+	513.17312	222.7
[M-H]-	489.17662	224.2
[M+NH4]+	508.21772	220.3
[M+K]+	529.14706	223.4
[M+H-H2O]+	473.18116	207.4
[M+HCOO]-	535.18210	224.8
[M+CH3COO]-	549.19775	239.5
[M+Na-2H]-	511.15857	213.5
[M]+	490.18335	221.5
[M]-	490.18445	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.19118

217.2

[M+Na]+

513.17312

222.7

[M-H]-

489.17662

224.2

[M+NH4]+

508.21772

220.3

[M+K]+

529.14706

223.4

[M+H-H2O]+

473.18116

207.4

[M+HCOO]-

535.18210

224.8

[M+CH3COO]-

549.19775

239.5

[M+Na-2H]-

511.15857

213.5

[M]+

490.18335

221.5

[M]-

490.18445

221.5

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

5-hydroxy-7,4'-dimethoxy-6,8-di-c-prenylflavanone 5-o-galactoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe