PubChemLite - 6-hydroxyluteolin 7-apioside (C20H18O11)

Structural Information

Molecular Formula

SMILES

C1[C@@]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)(CO)O

InChI

InChI=1S/C20H18O11/c21-6-20(28)7-29-19(18(20)27)31-14-5-13-15(17(26)16(14)25)11(24)4-12(30-13)8-1-2-9(22)10(23)3-8/h1-5,18-19,21-23,25-28H,6-7H2/t18-,19-,20+/m0/s1

InChIKey

QWGPBCPIKAIUCO-SLFFLAALSA-N

Compound name

7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,6-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]+	435.09218	193.5
[M+Na]+	457.07412	201.6
[M-H]-	433.07762	198.6
[M+NH4]+	452.11872	200.6
[M+K]+	473.04806	201.4
[M+H-H2O]+	417.08216	187.2
[M+HCOO]-	479.08310	203.7
[M+CH3COO]-	493.09875	217.4
[M+Na-2H]-	455.05957	194.8
[M]+	434.08435	197.5
[M]-	434.08545	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.09218

193.5

[M+Na]+

457.07412

201.6

[M-H]-

433.07762

198.6

[M+NH4]+

452.11872

200.6

[M+K]+

473.04806

201.4

[M+H-H2O]+

417.08216

187.2

[M+HCOO]-

479.08310

203.7

[M+CH3COO]-

493.09875

217.4

[M+Na-2H]-

455.05957

194.8

[M]+

434.08435

197.5

[M]-

434.08545

197.5

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

6-hydroxyluteolin 7-apioside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe