Dataset

Flavone base + 3O, C-Pen-FeruloylHex

This MassBank record with Accession MSBNK-RIKEN-PR311026 contains the MS2 mass spectrum of Flavone base + 3O, C-Pen-FeruloylHex with the InChIkey IWFBTVKUANPWLB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C36H36O17/c1-48-22-10-15(2-8-18(22)39)3-9-26(42)53-35-33(47)29(43)24(13-37)51-36(35)52-25-14-49-34(32(46)30(25)44)28-20(41)12-23-27(31(28)45)19(40)11-21(50-23)16-4-6-17(38)7-5-16/h2-12,24-25,29-30,32-39,41,43-47H,13-14H2,1H3
SMILES COC1=C(O)C=CC(C=CC(=O)OC2C(O)C(O)C(CO)OC2OC2COC(C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C=C3)C=C2O)=C1
InChI Key IWFBTVKUANPWLB-UHFFFAOYSA-N
Molecular Formula C36H36O17
Exact Mass 740.667 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-PR311026
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:25:49.008146
MetadataModified 2025-02-09T18:27:03.709718
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
145994464 PubChem
The data in this table is sourced from UniChem at EBI.