Dataset
Flindersine
Chemical Info
InChI | InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16) |
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SMILES | CC1(C=CC2=C(O1)C3=CC=CC=C3NC2=O)C |
InChI Key | PXNMNABLQWUMCX-UHFFFAOYSA-N |
Molecular Formula | C14H13NO2 |
Exact Mass | 227.095 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-BML01233 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:29:07.437074 |
MetadataModified | 2024-01-11T22:29:07.629111 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
J11.708K | Nikkaji |
MCULE-7745509945 | Mcule |
MolPort-001-936-789 | MolPort |
30001542 | NMRShiftDB |
5094 | ChEBI |
ZINC000008579393 | ZINC |
DTXSID80200324 | EPA CompTox Dashboard |
1235352 | eMolecules |
CHEMBL1507844 | ChEMBL |
C10679 | KEGG Ligand |
15245334 | PubChem: Thomson Pharma |
SCHEMBL3125149 | SureChEMBL |
523-64-8 | ACToR |
6A8PD12CKP | FDA SRS |
68230 | PubChem |
The data in this table is sourced from UniChem at EBI. |