Dataset
Sorbifolin; LC-ESI-QTOF; MS
Chemical Information
| InChI | InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
|---|---|
| SMILES | C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])O[H])([H])([H])[H] |
| InChI Key | UWARRXZVZDFPQU-UHFFFAOYSA-N |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.063 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-BS003678 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2017-12-01 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:192701 | chebi |
| LMPK12111161 | lipidmaps |
| CHEMBL3740428 | chembl |
| 739122 | surechembl |
| 3084390 | pubchem |
| PD219826 | probes_and_drugs |
| 249682 | brenda |
| DTXSID70177697 | comptox |
| Molport-051-818-489 | molport |
| The data in this table is sourced from UniChem at EBI. | |