Dataset
6,8-Diprenylnaringenin
Chemical Info
InChI | InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1 |
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SMILES | O=C1C=2C(O[C@]([H])(C=3C(=C(C(O[H])=C(C3[H])[H])[H])[H])C1([H])[H])=C(C(O[H])=C(C2O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H] |
InChI Key | HCNLDGTUMBOHKT-NRFANRHFSA-N |
Molecular Formula | C25H28O5 |
Exact Mass | 408.194 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-BS003078 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:47.173638 |
MetadataModified | 2024-01-11T12:34:47.343646 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL477969 | ChEMBL |
C09724 | KEGG Ligand |
ZINC000003873159 | ZINC |
DTXSID20218408 | EPA CompTox Dashboard |
2156 | ChEBI |
LMPK12140276 | LipidMaps |
MTBLC2156 | Metabolights |
124035 | PubChem |
60025267 | NMRShiftDB |
14781733 | PubChem: Thomson Pharma |
68236-11-3 | ACToR |
SCHEMBL144277 | SureChEMBL |
J607.242I | Nikkaji |
The data in this table is sourced from UniChem at EBI. |