Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR309266 contains the MS2 mass spectrum of Flavonol base + 4O, 1MeO, O-Hex, O-Hex, O-Hex with the InChIkey POYUZVAGWZVXKD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H42O23/c1-50-13-2-9(3-14(19(13)39)53-33-28(48)25(45)21(41)16(7-36)55-33)30-31(57-34-29(49)26(46)22(42)17(8-37)56-34)23(43)18-11(38)4-10(5-12(18)52-30)51-32-27(47)24(44)20(40)15(6-35)54-32/h2-5,15-17,20-22,24-29,32-42,44-49H,6-8H2,1H3
SMILES O=C3C(OC1OC(CO)C(O)C(O)C1(O))=C(OC=4C=C(OC2OC(CO)C(O)C(O)C2(O))C=C(O)C3=4)C=6C=C(OC)C(O)=C(OC5OC(CO)C(O)C(O)C5(O))C=6
InChI Key POYUZVAGWZVXKD-UHFFFAOYSA-N
Molecular Formula C34H42O23
Exact Mass 818.687 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-PR309266
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:28:26.371666
MetadataModified 2025-02-09T18:22:58.775362
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74978322 PubChem
The data in this table is sourced from UniChem at EBI.