Dataset

Liquiritigenin

This MassBank record with Accession MSBNK-BS-BS003364 contains the MS2 mass spectrum of Liquiritigenin with the InChIkey FURUXTVZLHCCNA-AWEZNQCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
SMILES C1([C@]([H])(OC2=C(C1=O)C(=C(C(=C2[H])O[H])[H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])([H])[H]
InChI Key FURUXTVZLHCCNA-AWEZNQCLSA-N
Molecular Formula C15H12O4
Exact Mass 256.074 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-BS003364
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:32:54.600294
MetadataModified 2024-01-11T12:32:54.753775
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000985403 ZINC
LMPK12140061 LipidMaps
DTXSID90206493 EPA CompTox Dashboard
HY-N0377 MedChemExpress
50241408 BindingDB
HMDB0029519 Human Metabolome Database
J22.604A Nikkaji
SCHEMBL74552 SureChEMBL
MCULE-5306878717 Mcule
C09762 KEGG Ligand
DB03601 DrugBank
DFV PDBe
28777 ChEBI
CHEMBL252642 ChEMBL
4788044 eMolecules
29780968 eMolecules
60021696 NMRShiftDB
PD006779 ProbesDrugs
24904592 PubChem: Thomson Pharma
578-86-9 ACToR
56378271 PubChem: Thomson Pharma
T194LKP9W6 FDA SRS
11544 Brenda
CB4434177 ChemicalBook
170034 Brenda
166246 Brenda
MolPort-002-511-352 MolPort
2882 Brenda
28777 Rhea
LSM-45621 LINCS
MTBLC28777 Metabolights
114829 PubChem
The data in this table is sourced from UniChem at EBI.