Dataset
Parasorbic acid.noesy
Chemical Info
InChI | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3 |
---|---|
SMILES | CC1CC=CC(=O)O1 |
InChI Key | DYNKRGCMLGUEMN-UHFFFAOYSA-N |
Molecular Formula | C6H8O2 |
Exact Mass | 112.130 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p43.s262.d1522 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1522 |
Version | |
Author | Christoph Selg, David Geißler, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:54:59.713618 |
MetadataModified | 2024-09-23T09:30:15.545787 |
MetadataPublished | 2023-12-24 22:12:17 |
Field | Value |
---|---|
Measurement Technique | n |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
15910294 | PubChem: Thomson Pharma |
PD085641 | ProbesDrugs |
SCHEMBL979332 | SureChEMBL |
J79.447C | Nikkaji |
MolPort-044-754-099 | MolPort |
60002034 | NMRShiftDB |
HMDB0301801 | Human Metabolome Database |
24869 | PubChem |
The data in this table is sourced from UniChem at EBI. |