Molecule

4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol

Chemical Information

Molecular Image

InChI	InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
SMILES	C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI Key	BELBBZDIHDAJOR-UHFFFAOYSA-N
Exact Mass	354.056 g/mol

13 Related Dataset(s) ⌄

Phenol Red; LC-ESI-QTOF; MS2; CE: 100; [M+H]+

Phenol Red; LC-ESI-QTOF; MS2; CE: 100; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 100; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 10; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 10; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 15 / 50; [M+H]+

Phenol Red; LC-ESI-QTOF; MS2; CE: 15 / 50; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 15 / 50; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 30; [M+H]+

Phenol Red; LC-ESI-QTOF; MS2; CE: 30; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 60; [M+H]+

Phenol Red; LC-ESI-QTOF; MS2; CE: 60; [M-H]-

Phenol Red; LC-ESI-QTOF; MS2; CE: 60; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol82298
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB13212	drugbank
CHEBI:31991	chebi
CHEMBL258921	chembl
17836	surechembl
29357178	surechembl
4766	pubchem
I6G9Y0J1OJ	fdasrs
PD001587	probes_and_drugs
4857	brenda
51872	brenda
DTXSID8022408	comptox
Molport-001-783-927	molport
3439	drugcentral
The data in this table is sourced from UniChem at EBI.