Dataset

Flavonol base + 4O, 1MeO, O-Hex-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309256 contains the MS2 mass spectrum of Flavonol base + 4O, 1MeO, O-Hex-Hex with the InChIkey WRDDFOFFQDOVRV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3
SMILES O=C3C(OC2OC(COC1OC(CO)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C(OC)=C(O)C3=4)C=5C=CC(O)=C(O)C=5
InChI Key WRDDFOFFQDOVRV-UHFFFAOYSA-N
Molecular Formula C28H32O18
Exact Mass 656.546 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-PR309256
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:42:22.264341
MetadataModified 2025-02-09T18:25:13.432786
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73822533 PubChem
HMDB0037541 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.