7-o-glucosylvitexin (C27H30O15)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O

InChI

InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2

InChIKey

HHRPSKAYQPDDGQ-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-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]+	595.165726	232.8
[M+Na]+	617.147668	236.7
[M-H]-	593.151174	228.1
[M+NH4]+	612.192273	234.2
[M+K]+	633.121608	233.4
[M+H-H2O]+	577.155710	225.5
[M+HCOO]-	639.156651	236.2
[M+CH3COO]-	653.172301	240.3
[M+Na-2H]-	615.133116	256.1
[M]+	594.15790142	242.3
[M]-	594.15899858	242.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.165726

232.8

[M+Na]+

617.147668

236.7

[M-H]-

593.151174

228.1

[M+NH4]+

612.192273

234.2

[M+K]+

633.121608

233.4

[M+H-H2O]+

577.155710

225.5

[M+HCOO]-

639.156651

236.2

[M+CH3COO]-

653.172301

240.3

[M+Na-2H]-

615.133116

256.1

[M]+

594.15790142

242.3

[M]-

594.15899858

242.3

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

7-o-glucosylvitexin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe