CID 131753091

Edulisin vi

Structural Information

Molecular Formula

C₂₀H₂₂O₉

SMILES

CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C20H22O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-7,12,15-17,19,21,23-25H,8H2,1-2H3

InChIKey

RGKKEFIQHJTNIY-UHFFFAOYSA-N

Compound name

8-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]furo[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 406.12637 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

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]+	407.133646	190.1
[M+Na]+	429.115588	198.2
[M-H]-	405.119094	196.6
[M+NH4]+	424.160193	198.3
[M+K]+	445.089528	198.9
[M+H-H2O]+	389.123630	184.4
[M+HCOO]-	451.124571	200.6
[M+CH3COO]-	465.140221	217.6
[M+Na-2H]-	427.101036	194.3
[M]+	406.12582142	196.3
[M]-	406.12691858	196.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe