PubChemLite - Kargp (C32H38O19)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(CO6)(CO)O)O)O)O)O)O)O

InChI

InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3

InChIKey

PXDYLXHBUIPSMK-UHFFFAOYSA-N

Compound name

3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)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]+	727.20802	254.5
[M+Na]+	749.18996	258.1
[M-H]-	725.19346	252.0
[M+NH4]+	744.23456	256.4
[M+K]+	765.16390	258.3
[M+H-H2O]+	709.19800	249.9
[M+HCOO]-	771.19894	257.8
[M+CH3COO]-	785.21459	261.4
[M+Na-2H]-	747.17541	276.2
[M]+	726.20019	262.5
[M]-	726.20129	262.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

727.20802

254.5

[M+Na]+

749.18996

258.1

[M-H]-

725.19346

252.0

[M+NH4]+

744.23456

256.4

[M+K]+

765.16390

258.3

[M+H-H2O]+

709.19800

249.9

[M+HCOO]-

771.19894

257.8

[M+CH3COO]-

785.21459

261.4

[M+Na-2H]-

747.17541

276.2

[M]+

726.20019

262.5

[M]-

726.20129

262.5

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

Kargp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe