Luteolin 6-c-glucoside 8-c-arabinoside (C27H30O16)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O

InChI

InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2

InChIKey

ZLPSOQFIIQIIAX-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]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]+	611.160676	232.4
[M+Na]+	633.142618	236.6
[M-H]-	609.146124	228.0
[M+NH4]+	628.187223	234.0
[M+K]+	649.116558	233.6
[M+H-H2O]+	593.150660	226.4
[M+HCOO]-	655.151601	236.0
[M+CH3COO]-	669.167251	240.1
[M+Na-2H]-	631.128066	256.8
[M]+	610.15285142	241.9
[M]-	610.15394858	241.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

611.160676

232.4

[M+Na]+

633.142618

236.6

[M-H]-

609.146124

228.0

[M+NH4]+

628.187223

234.0

[M+K]+

649.116558

233.6

[M+H-H2O]+

593.150660

226.4

[M+HCOO]-

655.151601

236.0

[M+CH3COO]-

669.167251

240.1

[M+Na-2H]-

631.128066

256.8

[M]+

610.15285142

241.9

[M]-

610.15394858

241.9

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

Luteolin 6-c-glucoside 8-c-arabinoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe