CID 96539

Gardenin b

Structural Information

Molecular Formula

C₁₉H₁₈O₇

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O

InChI

InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3

InChIKey

LXEVSYZNYDZSOB-UHFFFAOYSA-N

Compound name

5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 157
Patents: 358.10526 Da
Monoisotopic Mass: 3.3
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]+	359.11254	180.1
[M+Na]+	381.09448	196.1
[M+NH4]+	376.13908	186.4
[M+K]+	397.06842	190.2
[M-H]-	357.09798	184.9
[M+Na-2H]-	379.07993	186.0
[M]+	358.10471	183.9
[M]-	358.10581	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe