Dataset
Skimmianine
Chemical Info
InChI | InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 |
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SMILES | COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC |
InChI Key | SLSIBLKBHNKZTB-UHFFFAOYSA-N |
Molecular Formula | C14H13NO4 |
Exact Mass | 259.084 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-BML00033 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:32.614828 |
MetadataModified | 2024-01-11T22:27:32.785007 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL21396 | ChEMBL |
C10740 | KEGG Ligand |
709090 | eMolecules |
MCULE-8440641154 | Mcule |
HMDB0258333 | Human Metabolome Database |
SATNAC | CCDC |
J4.887I | Nikkaji |
10017689 | NMRShiftDB |
6760 | PubChem |
PD045673 | ProbesDrugs |
4E1KLC380B | FDA SRS |
LSM-2560 | LINCS |
15367675 | PubChem: Thomson Pharma |
898044-50-3 | ACToR |
83-95-4 | ACToR |
5255-76-5 | ACToR |
SCHEMBL893654 | SureChEMBL |
ZINC000000035525 | ZINC |
50486607 | BindingDB |
DTXSID90232116 | EPA CompTox Dashboard |
9172 | ChEBI |
HY-N2081 | MedChemExpress |
MTBLC9172 | Metabolights |
The data in this table is sourced from UniChem at EBI. |