Dataset

YAC_3P (Compound 19) Isoliquiritigenin.

A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.

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 O=C(C=CC1=CC=C(O)C=C1)C1=C(O)C=C(O)C=C1
InChI Key DXDRHHKMWQZJHT-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s439.d2275
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2275
Version
Author Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A.
Maintainer
Language english
MetadataCreated 2024-05-15T08:25:05.176550
MetadataModified 2024-09-23T09:37:26.109376
MetadataPublished 2024-03-05 20:39:34
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
PD055486 ProbesDrugs
425 PubChem
CHEMBL3183256 ChEMBL
MCULE-2961278599 Mcule
94010 ChEBI
45233 Brenda
The data in this table is sourced from UniChem at EBI.