Dataset

isoliquiritigenin

This MassBank record with Accession MSBNK-RIKEN-PR306401 contains the MS2 mass spectrum of isoliquiritigenin with the InChIkey DXDRHHKMWQZJHT-UHFFFAOYSA-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
SMILES OC1=CC=C(C=CC(=O)C2=C(O)C=C(O)C=C2)C=C1
InChI Key DXDRHHKMWQZJHT-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.257 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-PR306401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:31:45.329195
MetadataModified 2025-02-09T18:31:27.076425
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD055486 ProbesDrugs
425 PubChem
94010 ChEBI
45233 Brenda
MCULE-2961278599 Mcule
CHEMBL3183256 ChEMBL
The data in this table is sourced from UniChem at EBI.