Dataset
Fusaric acid
Chemical Info
InChI | InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) |
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SMILES | CCCCC1=CN=C(C=C1)C(=O)O |
InChI Key | DGMPVYSXXIOGJY-UHFFFAOYSA-N |
Molecular Formula | C10H13NO2 |
Exact Mass | 179.095 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-AAFC-AC000890 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:22:55.544030 |
MetadataModified | 2024-01-11T09:22:55.705604 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CB4689029 | ChemicalBook |
513892 | eMolecules |
CQV | PDBe |
WIPXAY | CCDC |
50000439 | BindingDB |
224590 | Brenda |
ZINC000001531682 | ZINC |
5199 | ChEBI |
MCULE-2488661517 | Mcule |
DTXSID5023085 | EPA CompTox Dashboard |
HY-128483 | MedChemExpress |
J12.987I | Nikkaji |
HMDB0252556 | Human Metabolome Database |
20128770 | NMRShiftDB |
3442 | PubChem |
PD002714 | ProbesDrugs |
JWJ963070N | FDA SRS |
15219650 | PubChem: Thomson Pharma |
536-69-6 | ACToR |
SCHEMBL178006 | SureChEMBL |
LSM-3944 | LINCS |
CHEMBL24510 | ChEMBL |
C10146 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |