Dataset
140-67-0.hmbc
Chemical Info
InChI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
---|---|
SMILES | C=CCC1=CC=C(OC)C=C1 |
InChI Key | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
Molecular Formula | C10H12O |
Exact Mass | 148.200 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p10.s66.d343 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D343 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:42:03.917563 |
MetadataModified | 2024-09-23T09:35:16.569804 |
MetadataPublished | 2022-10-28 13:30:58 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL470671 | ChEMBL |
C10452 | KEGG Ligand |
476230 | eMolecules |
MTBLC4867 | Metabolights |
8815 | PubChem |
HMDB0034121 | Human Metabolome Database |
77010 | Brenda |
32431 | Brenda |
CB8429687 | ChemicalBook |
VUXJOO | CCDC |
4867 | ChEBI |
ZINC000000967635 | ZINC |
HY-N5060 | MedChemExpress |
DTXSID0020575 | EPA CompTox Dashboard |
J5.794K | Nikkaji |
10008909 | NMRShiftDB |
PD000619 | ProbesDrugs |
9NIW07V3ET | FDA SRS |
50770-19-9 | ACToR |
15146818 | PubChem: Thomson Pharma |
SCHEMBL57204 | SureChEMBL |
140-67-0 | ACToR |
The data in this table is sourced from UniChem at EBI. |