Dataset
Diuron-desmonomethyl
Chemical Info
InChI | InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13) |
---|---|
SMILES | CNC(=O)NC1=CC(Cl)=C(Cl)C=C1 |
InChI Key | IDQHRQQSSQDLTR-UHFFFAOYSA-N |
Molecular Formula | C8H8Cl2N2O |
Exact Mass | 218.001 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU400102 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:46:11.068556 |
MetadataModified | 2024-01-11T09:46:11.212085 |
MetadataPublished | 2015-12-09 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
19113 | PubChem |
MCULE-1445161593 | Mcule |
252482 | Brenda |
HMDB0255108 | Human Metabolome Database |
CHEMBL3181859 | ChEMBL |
DTXSID3042180 | EPA CompTox Dashboard |
83466 | ChEBI |
J124.916I | Nikkaji |
83466 | Rhea |
ZINC000000396195 | ZINC |
MTBLC83466 | Metabolights |
3567-62-2 | ACToR |
1105715 | eMolecules |
Z19W74Z2N4 | FDA SRS |
87237349 | PubChem: Thomson Pharma |
SCHEMBL2893642 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |