PubChemLite - 2'-hydroxydaidzein 4',7-diglucoside (C27H30O15)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O

InChI

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

InChIKey

DNPGZHRLHFUCNR-UHFFFAOYSA-N

Compound name

3-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-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]+	595.16573	233.3
[M+Na]+	617.14767	234.0
[M+NH4]+	612.19227	233.2
[M+K]+	633.12161	239.5
[M-H]-	593.15117	226.7
[M+Na-2H]-	615.13312	251.9
[M]+	594.15790	231.2
[M]-	594.15900	231.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.16573

233.3

[M+Na]+

617.14767

234.0

[M+NH4]+

612.19227

233.2

[M+K]+

633.12161

239.5

[M-H]-

593.15117

226.7

[M+Na-2H]-

615.13312

251.9

[M]+

594.15790

231.2

[M]-

594.15900

231.2

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

2'-hydroxydaidzein 4',7-diglucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe