Dataset
YAC_4Y (Compound 10) Maackiain.c13
Chemical Info
InChI | InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1 |
---|---|
SMILES | OC1=CC2=C(C=C1)[C@H]1OC3=CC4=C(C=C3[C@H]1CO2)OCO4 |
InChI Key | HUKSJTUUSUGIDC-BDJLRTHQSA-N |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p62.s444.d2315 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D2315 |
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 | 2024-04-22T16:01:50.315450 |
MetadataModified | 2024-09-23T09:31:07.770951 |
MetadataPublished | 2024-03-05 20:39:34 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL445279 | ChEMBL |
C16229 | KEGG Ligand |
161298 | PubChem |
70128857 | NMRShiftDB |
73030 | ChEBI |
19908-48-6 | ACToR |
PD088053 | ProbesDrugs |
157333 | Brenda |
38688 | Brenda |
MolPort-044-649-443 | MolPort |
J330.617H | Nikkaji |
ZINC000001620281 | ZINC |
MCULE-8938875451 | Mcule |
The data in this table is sourced from UniChem at EBI. |