Dataset

Flavone base + 3O, C-Pen-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309290 contains the MS2 mass spectrum of Flavone base + 3O, C-Pen-Hex with the InChIkey LOCBOCXGFMHGIJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O14/c27-7-16-20(33)22(35)23(36)26(39-16)40-25-19(32)13(31)8-37-24(25)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2
SMILES O=C1C=C(OC=2C=C(O)C(=C(O)C1=2)C4OCC(O)C(O)C4(OC3OC(CO)C(O)C(O)C3(O)))C5=CC=C(O)C=C5
InChI Key LOCBOCXGFMHGIJ-UHFFFAOYSA-N
Molecular Formula C26H28O14
Exact Mass 564.496 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-PR309290
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:13:16.575689
MetadataModified 2025-02-09T18:38:02.968336
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74977452 PubChem
The data in this table is sourced from UniChem at EBI.