Molecule

xanthen-9-one

Chemical Information

Molecular Image

InChI	InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
SMILES	O=C1C2=C(OC3=C1C=CC=C3)C=CC=C2
InChI Key	JNELGWHKGNBSMD-UHFFFAOYSA-N
Exact Mass	196.052 g/mol

6 Related Dataset(s) ⌄

Xanthone; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+

Xanthone; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

Xanthone; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+

Xanthone; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+

Xanthone; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

Xanthone; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol52087
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:37647	chebi
CHEMBL186784	chembl
29358061	surechembl
29398266	surechembl
41161	surechembl
7020	pubchem
9749WEV0CA	fdasrs
PD002208	probes_and_drugs
ZZZTXI	CCDC
81577	brenda
8816	brenda
HMDB0259922	hmdb
DTXSID6021795	comptox
Molport-001-759-220	molport
50155411	bindingdb
The data in this table is sourced from UniChem at EBI.