Dataset
Formononetin-7-O-glucoside (Ononin)
Chemical Info
InChI | InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
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SMILES | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
InChI Key | MGJLSBDCWOSMHL-MIUGBVLSSA-N |
Molecular Formula | C22H22O9 |
Exact Mass | 430.126 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-BS003488 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:33:45.796859 |
MetadataModified | 2024-01-11T12:33:45.946093 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |