Dataset

Flavone base + 4O, O-HexA-HexA

This MassBank record with Accession MSBNK-RIKEN-PR310965 contains the MS2 mass spectrum of Flavone base + 4O, O-HexA-HexA with the InChIkey PBBVWJQPAZYQDB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)
SMILES O=C(O)C5OC(OC=1C=C(O)C=2C(=O)C=C(OC=2(C=1))C3=CC=C(O)C(O)=C3)C(OC4OC(C(=O)O)C(O)C(O)C4(O))C(O)C5(O)
InChI Key PBBVWJQPAZYQDB-UHFFFAOYSA-N
Molecular Formula C27H26O18
Exact Mass 638.487 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-PR310965
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:11.036403
MetadataModified 2024-01-11T20:40:11.247518
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL18674701 SureChEMBL
PD164927 ProbesDrugs
70100043 NMRShiftDB
74413803 PubChem
The data in this table is sourced from UniChem at EBI.