Dataset

Flavone base + 3O, 2MeO, O-HexA-HexA

This MassBank record with Accession MSBNK-RIKEN-PR310968 contains the MS2 mass spectrum of Flavone base + 3O, 2MeO, O-HexA-HexA with the InChIkey RDNMWJOGZVGRGW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)
SMILES O=C(O)C5OC(OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C=3C=C(OC)C(O)=C(OC)C=3)C(OC4OC(C(=O)O)C(O)C(O)C4(O))C(O)C5(O)
InChI Key RDNMWJOGZVGRGW-UHFFFAOYSA-N
Molecular Formula C29H30O19
Exact Mass 682.540 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-PR310968
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:37:20.589379
MetadataModified 2025-02-09T18:31:33.296993
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0037460 Human Metabolome Database
176371 ChEBI
131752191 PubChem
The data in this table is sourced from UniChem at EBI.