Dataset
2-Hydroxy-1,4-naphthoquinone.c13
Chemical Info
InChI | InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H |
---|---|
SMILES | O=C1C=C(O)C(=O)C2=C1C=CC=C2 |
InChI Key | CSFWPUWCSPOLJW-UHFFFAOYSA-N |
Molecular Formula | C10H6O3 |
Exact Mass | 174.150 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p42.s257.d1487 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1487 |
Version | |
Author | Peter Spiteller |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:54:20.494674 |
MetadataModified | 2024-09-23T09:30:11.751160 |
MetadataPublished | 2023-12-24 21:57:47 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
C10368 | KEGG Ligand |
NQ | PDBe |
CHEMBL240963 | ChEMBL |
DTXSID2025428 | EPA CompTox Dashboard |
TELYAK | CCDC |
J4.642F | Nikkaji |
HY-N2493 | MedChemExpress |
ZINC000004632115 | ZINC |
50049066 | BindingDB |
44401 | ChEBI |
MCULE-8698811000 | Mcule |
20143612 | NMRShiftDB |
539195 | eMolecules |
PD001335 | ProbesDrugs |
TLH4A6LV1W | FDA SRS |
15339758 | PubChem: Thomson Pharma |
SCHEMBL16541 | SureChEMBL |
83-72-7 | ACToR |
CB2493073 | ChemicalBook |
21700 | Brenda |
DB04744 | DrugBank |
162845 | Brenda |
2536 | Brenda |
10704 | Brenda |
The data in this table is sourced from UniChem at EBI. |