Dataset
![molecular Image]()
Acetochlor
Chemical Info
| InChI | InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 |
|---|---|
| SMILES | CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C |
| InChI Key | VTNQPKFIQCLBDU-UHFFFAOYSA-N |
| Molecular Formula | C14H20ClNO2 |
| Exact Mass | 269.118 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-AU322104 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:51:06.600042 |
| MetadataModified | 2025-02-08T19:01:58.513324 |
| MetadataPublished | 2015-12-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C10925 | KEGG Ligand |
| 2394 | ChEBI |
| CHEMBL1517425 | ChEMBL |
| HMDB0247910 | Human Metabolome Database |
| J19.716E | Nikkaji |
| ZINC000001532058 | ZINC |
| DTXSID8023848 | EPA CompTox Dashboard |
| CIJVIC | CCDC |
| CB3745980 | ChemicalBook |
| 27515488 | eMolecules |
| 498480 | eMolecules |
| 1988 | PubChem |
| PD080495 | ProbesDrugs |
| 8L08WMO94K | FDA SRS |
| 14774946 | PubChem: Thomson Pharma |
| 123113-74-6 | ACToR |
| 34256-82-1 | ACToR |
| SCHEMBL21390 | SureChEMBL |
| 118985 | Brenda |
| 2394 | Rhea |
| 144962 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |