Dataset
YAC_3N (Compound 17) Hildecarpin.tocsy
Chemical Info
InChI | InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1 |
---|---|
SMILES | COC1=C(O)C=C2OC[C@@]3(O)C4=CC5=C(C=C4O[C@H]3C2=C1)OCO5 |
InChI Key | DQXBSJMCLQLJKV-DLBZAZTESA-N |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p62.s426.d2154 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D2154 |
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 | 2024-04-22T15:53:53.857778 |
MetadataModified | 2024-09-23T09:30:09.659648 |
MetadataPublished | 2024-03-05 20:39:34 |
Field | Value |
---|---|
Measurement Technique | total correlation spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID00331947 | EPA CompTox Dashboard |
LMPK12070129 | LipidMaps |
ZINC000001531824 | ZINC |
5718 | ChEBI |
442773 | PubChem |
99624-64-3 | ACToR |
70028726 | NMRShiftDB |
C10424 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |