Dataset

Averufin

This MassBank record with Accession MSBNK-AAFC-AC000074 contains the MS2 mass spectrum of Averufin with the InChIkey RYFFZJHGQCKWMV-YUNKPMOVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
SMILES C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=C(C=C5C4=O)O)O
InChI Key RYFFZJHGQCKWMV-YUNKPMOVSA-N
Molecular Formula C20H16O7
Exact Mass 368.090 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-AC000074
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:11.199942
MetadataModified 2024-01-11T09:22:11.376948
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1706207 ChEMBL
AVERUF CCDC
88955 BindingDB
DTXSID10891789 EPA CompTox Dashboard
71537 Rhea
88386 Brenda
196330 Brenda
MTBLC71537 Metabolights
60076726 NMRShiftDB
638296 PubChem
71537 ChEBI
The data in this table is sourced from UniChem at EBI.