Dataset

Fusarenone-X

This MassBank record with Accession MSBNK-AAFC-AC000147 contains the MS2 mass spectrum of Fusarenone-X with the InChIkey XGCUCFKWVIWWNW-CAYGJDLQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1
SMILES CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO
InChI Key XGCUCFKWVIWWNW-CAYGJDLQSA-N
Molecular Formula C17H22O8
Exact Mass 354.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000147
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:29.645978
MetadataModified 2024-01-11T09:24:29.822973
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1079719 ChEMBL
499552 eMolecules
304599 PubChem
PD044437 ProbesDrugs
60059546 NMRShiftDB
0CV8D1DR96 FDA SRS
J34.150I Nikkaji
ZINC000005327851 ZINC
The data in this table is sourced from UniChem at EBI.