Dataset
Isosakuranetin
Chemical Info
InChI | InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
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SMILES | C(OC1=C(C(=C(C(=C1[H])[H])C2(C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])[H])([H])([H])[H] |
InChI Key | HMUJXQRRKBLVOO-AWEZNQCLSA-N |
Molecular Formula | C16H14O5 |
Exact Mass | 286.084 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003556 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:19.082354 |
MetadataModified | 2024-01-11T12:34:19.238104 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
HY-N2131 | MedChemExpress |
MCULE-6964743359 | Mcule |
LMPK12140355 | LipidMaps |
50325673 | BindingDB |
J12.391I | Nikkaji |
248297 | Brenda |
IHAGUW | CCDC |
ZINC000002146973 | ZINC |
C05334 | KEGG Ligand |
CHEMBL470266 | ChEMBL |
1935877 | eMolecules |
160481 | PubChem |
U02X7TF8UA | FDA SRS |
60022385 | NMRShiftDB |
PD078842 | ProbesDrugs |
480-43-3 | ACToR |
27552 | ChEBI |
SCHEMBL676015 | SureChEMBL |
10299 | Guide to Pharmacology |
MTBLC27552 | Metabolights |
The data in this table is sourced from UniChem at EBI. |