Dataset

Flavone base + 4O, C-Pen, C-Hex

This MassBank record with Accession MSBNK-RIKEN-PR310991 contains the MS2 mass spectrum of Flavone base + 4O, C-Pen, C-Hex with the InChIkey WYYFCTVKFALPQV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)16-20(35)15(25-22(37)17(32)11(31)6-39-25)19(34)14-10(30)4-12(40-24(14)16)7-1-2-8(28)9(29)3-7/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2
SMILES O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C(O)C3(O))C4OCC(O)C(O)C4(O))C=5C=CC(O)=C(O)C=5
InChI Key WYYFCTVKFALPQV-UHFFFAOYSA-N
Molecular Formula C26H28O15
Exact Mass 580.495 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-PR310991
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:01:35.456489
MetadataModified 2025-02-09T18:25:53.989658
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73802481 PubChem
HMDB0030721 Human Metabolome Database
60067413 NMRShiftDB
The data in this table is sourced from UniChem at EBI.