Dataset

Honokiol

This MassBank record with Accession MSBNK-RIKEN-PR307482 contains the MS2 mass spectrum of Honokiol with the InChIkey FVYXIJYOAGAUQK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
SMILES OC1=C(CC=C)C=C(C=C1)C1=C(O)C=CC(CC=C)=C1
InChI Key FVYXIJYOAGAUQK-UHFFFAOYSA-N
Molecular Formula C18H18O2
Exact Mass 266.340 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-RIKEN-PR307482
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:15.869412
MetadataModified 2024-01-11T20:44:16.021124
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
Y4T PDBe
PD002976 ProbesDrugs
11513CCO0N FDA SRS
LSM-6013 LINCS
35354-74-6 ACToR
SCHEMBL133034 SureChEMBL
Honokiol Selleck
16887359 PubChem: Thomson Pharma
72303 PubChem
MCULE-5001549020 Mcule
10027246 NMRShiftDB
J138.358B Nikkaji
HMDB0253212 Human Metabolome Database
WIKFIF CCDC
50157304 BindingDB
HY-N0003 MedChemExpress
5759 ChEBI
DTXSID30188845 EPA CompTox Dashboard
ZINC000000001536 ZINC
13341 Brenda
CB2111629 ChemicalBook
CHEMBL16901 ChEMBL
C10630 KEGG Ligand
SAM001246690 NIH Clinical Collection
539203 eMolecules
The data in this table is sourced from UniChem at EBI.