Dataset
Flavonol base + 4O, 1MeO, O-Hex
Chemical Info
InChI | InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3 |
---|---|
SMILES | O=C2C(O)=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(OC)=C(O)C2=3)C4=CC=C(O)C(O)=C4 |
InChI Key | AFCDXKGLUDDXCK-UHFFFAOYSA-N |
Molecular Formula | C22H22O13 |
Exact Mass | 494.405 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-RIKEN-PR310911 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T19:50:37.784346 |
MetadataModified | 2025-02-09T18:30:32.510331 |
MetadataPublished | 2019-03-28 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
No additional information available for this Dataset. |