Dataset

Sorbifolin

This MassBank record with Accession MSBNK-BS-BS003681 contains the MS2 mass spectrum of Sorbifolin with the InChIkey UWARRXZVZDFPQU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])O[H])([H])([H])[H]
InChI Key UWARRXZVZDFPQU-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.063 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-BS-BS003681
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:27.176118
MetadataModified 2024-01-11T12:34:27.338683
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
163476529 PubChem: Thomson Pharma
249682 Brenda
J20.112J Nikkaji
LMPK12111161 LipidMaps
CHEMBL3740428 ChEMBL
DTXSID70177697 EPA CompTox Dashboard
SCHEMBL739122 SureChEMBL
192701 ChEBI
60025359 NMRShiftDB
23130-22-5 ACToR
3084390 PubChem
The data in this table is sourced from UniChem at EBI.