Dataset

Flavone base + 4O, O-MalonylHex

This MassBank record with Accession MSBNK-RIKEN-PR309279 contains the MS2 mass spectrum of Flavone base + 4O, O-MalonylHex with the InChIkey RNDGJCZQVKFBPI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)
SMILES O=C(O)CC(=O)OCC4OC(OC=1C=C(O)C=2C(=O)C=C(OC=2(C=1))C=3C=CC(O)=C(O)C=3)C(O)C(O)C4(O)
InChI Key RNDGJCZQVKFBPI-UHFFFAOYSA-N
Molecular Formula C24H22O14
Exact Mass 534.426 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-PR309279
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:42.459048
MetadataModified 2024-01-11T20:39:42.631891
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5858132 PubChem
HMDB0303671 Human Metabolome Database
70041698 NMRShiftDB
The data in this table is sourced from UniChem at EBI.