Dataset

Eleutherol

This MassBank record with Accession MSBNK-Fiocruz-FIO00607 contains the MS2 mass spectrum of Eleutherol with the InChIkey KNLHGXVYZRQSJZ-SSDOTTSWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H12O4/c1-7-11-9(14(16)18-7)6-8-4-3-5-10(17-2)12(8)13(11)15/h3-7,15H,1-2H3/t7-/m1/s1
SMILES COc(c3)c(c(cc3)1)c(O)c([C@@H](C)2)c(C(=O)O2)c1
InChI Key KNLHGXVYZRQSJZ-SSDOTTSWSA-N
Molecular Formula C14H12O4
Exact Mass 244.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00607
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:54.076788
MetadataModified 2024-01-11T16:35:54.245366
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
120697 PubChem
J12.432J Nikkaji
CB91470287 ChemicalBook
HY-N7626 MedChemExpress
DTXSID50197373 EPA CompTox Dashboard
50698-49-2 ACToR
181604 ChEBI
480-00-2 ACToR
15069435 PubChem: Thomson Pharma
70131114 NMRShiftDB
The data in this table is sourced from UniChem at EBI.