Dataset
Ricinine
Chemical Info
InChI | InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3 |
---|---|
SMILES | CN1C=CC(=C(C1=O)C#N)OC |
InChI Key | PETSAYFQSGAEQY-UHFFFAOYSA-N |
Molecular Formula | C8H8N2O2 |
Exact Mass | 164.059 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-Washington_State_Univ-BML82080 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:50.126552 |
MetadataModified | 2024-01-11T22:27:50.296814 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
130UFS7AE0 | FDA SRS |
PD046023 | ProbesDrugs |
70070105 | NMRShiftDB |
LSM-3851 | LINCS |
15066560 | PubChem: Thomson Pharma |
524-40-3 | ACToR |
SCHEMBL257955 | SureChEMBL |
10666 | PubChem |
J89.951H | Nikkaji |
JAMHOU | CCDC |
MTBLC18043 | Metabolights |
44523 | Brenda |
HMDB0042006 | Human Metabolome Database |
18043 | Rhea |
MCULE-6550589959 | Mcule |
ZINC000000113473 | ZINC |
DTXSID50200412 | EPA CompTox Dashboard |
16139 | Brenda |
CB2202950 | ChemicalBook |
CHEMBL1329957 | ChEMBL |
C01526 | KEGG Ligand |
18043 | ChEBI |
766894 | eMolecules |
The data in this table is sourced from UniChem at EBI. |