Dataset
2'-Hydroxy-4-methoxychalcone
Chemical Info
InChI | InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+ |
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SMILES | C(OC1=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2O[H])[H])[H])[H])[H])\[H])/[H])[H])[H])([H])([H])[H] |
InChI Key | NXBNYUSXDBHELA-DHZHZOJOSA-N |
Molecular Formula | C16H14O3 |
Exact Mass | 254.094 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003816 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:38:13.885580 |
MetadataModified | 2024-01-11T12:38:14.038491 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL241862 | ChEMBL |
926788 | eMolecules |
5331295 | PubChem |
14819457 | PubChem: Thomson Pharma |
SCHEMBL2807599 | SureChEMBL |
MCULE-7544284839 | Mcule |
J856.764F | Nikkaji |
J124.948G | Nikkaji |
XIGQEK | CCDC |
ZINC000003897187 | ZINC |
237599 | Brenda |
76395 | BindingDB |
The data in this table is sourced from UniChem at EBI. |