Dataset
THYMOL; EI-B; MS
Chemical Information
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
|---|---|
| SMILES | CC(C)c(c1)c(O)cc(C)c1 |
| InChI Key | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
| Exact Mass | 150.104 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000908 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB02513 | drugbank |
| CHEBI:27607 | chebi |
| LMPR0102090029 | lipidmaps |
| IPB | rcsb_pdb |
| CHEMBL29411 | chembl |
| 22165 | surechembl |
| 29579824 | surechembl |
| 6989 | pubchem |
| 3J50XA376E | fdasrs |
| IPB | pdbe |
| 2499 | gtopdb |
| PD009428 | probes_and_drugs |
| IPMEPL | CCDC |
| 227513 | brenda |
| 8200 | brenda |
| HMDB0001878 | hmdb |
| DTXSID6034972 | comptox |
| NCT00885599 | clinicaltrials |
| NCT01637948 | clinicaltrials |
| NCT02202304 | clinicaltrials |
| NCT03384537 | clinicaltrials |
| NCT04409873 | clinicaltrials |
| NCT04449952 | clinicaltrials |
| NCT04449952 | clinicaltrials |
| NCT04802408 | clinicaltrials |
| NCT04802408 | clinicaltrials |
| NCT04921371 | clinicaltrials |
| NCT04966507 | clinicaltrials |
| NCT05120141 | clinicaltrials |
| NCT05121909 | clinicaltrials |
| NCT05427721 | clinicaltrials |
| NCT05526586 | clinicaltrials |
| NCT05645705 | clinicaltrials |
| NCT05756673 | clinicaltrials |
| NCT06010758 | clinicaltrials |
| NCT06136455 | clinicaltrials |
| Molport-001-791-636 | molport |
| 4258 | drugcentral |
| 50240432 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |