Dataset
Decoquinate
Chemical Info
InChI | InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26) |
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SMILES | CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC |
InChI Key | JHAYEQICABJSTP-UHFFFAOYSA-N |
Molecular Formula | C24H35NO5 |
Exact Mass | 417.252 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU108704 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:41:33.575053 |
MetadataModified | 2024-01-11T09:41:33.714425 |
MetadataPublished | 2015-09-22 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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29112 | PubChem |
PD000915 | ProbesDrugs |
15353354 | PubChem: Thomson Pharma |
18507-89-6 | ACToR |
534I52PVWH | FDA SRS |
HMDB0250922 | Human Metabolome Database |
SCHEMBL43853 | SureChEMBL |
J10.996G | Nikkaji |
CB6837673 | ChemicalBook |
DB11394 | DrugBank |
decoquinate | Selleck |
ZINC000038139853 | ZINC |
DECOQUINATE | rxnorm |
DTXSID5046851 | EPA CompTox Dashboard |
HY-B1036 | MedChemExpress |
CHEMBL416230 | ChEMBL |
744326 | eMolecules |
The data in this table is sourced from UniChem at EBI. |