Dataset

Homoeriodictyol

This MassBank record with Accession MSBNK-BS-BS003788 contains the MS2 mass spectrum of Homoeriodictyol with the InChIkey FTODBIPDTXRIGS-ZDUSSCGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[C@]2([H])C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key FTODBIPDTXRIGS-ZDUSSCGKSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BS003788
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:23.421780
MetadataModified 2024-01-11T12:36:23.620234
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-046-153-732 MolPort
ZINC000004098322 ZINC
LMPK12140449 LipidMaps
DTXSID30196243 EPA CompTox Dashboard
50325672 BindingDB
J95.423C Nikkaji
CHEMBL490170 ChEMBL
C09756 KEGG Ligand
207846 Brenda
CB4702126 ChemicalBook
144438 Brenda
20299 Brenda
MTBLC74960 Metabolights
74960 Rhea
74960 ChEBI
73635 PubChem
60021913 NMRShiftDB
136366952 PubChem: Thomson Pharma
SCHEMBL39497 SureChEMBL
446-71-9 ACToR
EHE7H3705C FDA SRS
The data in this table is sourced from UniChem at EBI.