Dataset

Isoliquiritigenin

This MassBank record with Accession MSBNK-BS-BS003261 contains the MS mass spectrum of Isoliquiritigenin with the InChIkey DXDRHHKMWQZJHT-FPYGCLRLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
SMILES C1(=C(C(=C(C(=C1/C(=C(/C(=O)C2=C(C(=C(C(=C2[H])[H])O[H])[H])O[H])\[H])/[H])[H])[H])O[H])[H])[H]
InChI Key DXDRHHKMWQZJHT-FPYGCLRLSA-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-BS003261
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:00.028590
MetadataModified 2025-02-09T08:49:50.926091
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB03285 DrugBank
12014182 PubChem: Drugs of the Future
C08650 KEGG Ligand
HCC PDBe
CHEMBL129795 ChEMBL
HY-N0102 MedChemExpress
MCULE-1557671934 Mcule
LSM-43093 LINCS
J120.923J Nikkaji
ULILOR CCDC
J74.686J Nikkaji
LMPK12120096 LipidMaps
50042944 BindingDB
DTXSID2022466 EPA CompTox Dashboard
Isoliquiritigenin Selleck
15070065 PubChem: Thomson Pharma
B9CTI9GB8F FDA SRS
13745-20-5 ACToR
961-29-5 ACToR
PD001236 ProbesDrugs
539643 eMolecules
SCHEMBL161168 SureChEMBL
310312 ChEBI
10017704 NMRShiftDB
638278 PubChem
MTBLC310312 Metabolights
19173 Brenda
4482 Brenda
62439 Brenda
79270 Brenda
2341 Brenda
56868 Brenda
HMDB0037316 Human Metabolome Database
CB9131280 ChemicalBook
ZINC000003869608 ZINC
The data in this table is sourced from UniChem at EBI.