Dataset
Isoxanthohumol
Chemical Info
InChI | InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3 |
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SMILES | C(C(=C(C(C1=C(C(=C(C2=C1OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])OC([H])([H])[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H] |
InChI Key | YKGCBLWILMDSAV-UHFFFAOYSA-N |
Molecular Formula | C21H22O5 |
Exact Mass | 354.147 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-BS003212 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:12.706223 |
MetadataModified | 2024-01-11T12:34:12.905653 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
J120.928K | Nikkaji |
50252521 | BindingDB |
LMPK12140553 | LipidMaps |
171798 | ChEBI |
CHEMBL492828 | ChEMBL |
60023821 | NMRShiftDB |
6859429 | eMolecules |
513197 | PubChem |
PD064016 | ProbesDrugs |
15373952 | PubChem: Thomson Pharma |
SCHEMBL904557 | SureChEMBL |
CB92446159 | ChemicalBook |
MolPort-039-337-096 | MolPort |
The data in this table is sourced from UniChem at EBI. |