Dataset

Zapotinin

This MassBank record with Accession MSBNK-BS-BS003523 contains the MS mass spectrum of Zapotinin with the InChIkey BFXYIQRRGIMMSR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O6/c1-21-11-5-4-6-12(22-2)17(11)15-9-10(19)16-13(24-15)7-8-14(23-3)18(16)20/h4-9,20H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])[H])OC([H])([H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])OC([H])([H])[H])[H])[H])[H])([H])([H])[H]
InChI Key BFXYIQRRGIMMSR-UHFFFAOYSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-BS003523
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:38:41.223952
MetadataModified 2024-01-11T12:38:41.380129
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4P55Z8978Y FDA SRS
70114142 NMRShiftDB
44257595 PubChem
LMPK12110090 LipidMaps
ZINC000014756839 ZINC
174393 ChEBI
J13.595J Nikkaji
HMDB0029677 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.