Dataset
2'-Hydroxy-4'-methoxychalcone
Chemical Info
InChI | InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b10-7+ |
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SMILES | C(OC1=C(C(=C(C(=C1[H])[H])C(=O)/C(=C(/C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])\[H])/[H])O[H])[H])([H])([H])[H] |
InChI Key | GUNGQVJAKLIYDG-JXMROGBWSA-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-BS003809 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:15.396411 |
MetadataModified | 2024-01-11T12:34:15.583873 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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CHEMBL317469 | ChEMBL |
ZINC000004104687 | ZINC |
J811.406D | Nikkaji |
50106922 | BindingDB |
J1.353.846H | Nikkaji |
REPXIW | CCDC |
927230 | eMolecules |
14823548 | PubChem: Thomson Pharma |
5380645 | PubChem |
60030589 | NMRShiftDB |
39273-61-5 | ACToR |
SCHEMBL5088548 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |