Molecule

2,5-dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione

Chemical Information

Molecular Image

InChI	InChI=1S/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,19-20,23H
SMILES	Oc1ccc(cc1)C1=C(O)C(=O)C(=C(C1=O)O)c1ccccc1
InChI Key	PNTORJXTFRBTDZ-UHFFFAOYSA-N
Exact Mass	308.285 g/mol

9 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

double-quantum-filtered correlation spectroscopy (DQF-COSY)

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

nuclear magnetic resonance spectroscopy (NMR)

two-dimensional nuclear Overhauser enhancement spectroscopy (2D NOESY)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2270
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL511451	chembl
21593949	pubchem
The data in this table is sourced from UniChem at EBI.