Dataset
4-METHYLBENZYL ALCOHOL
Chemical Info
InChI | InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 |
---|---|
SMILES | OCc(c1)ccc(C)c1 |
InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
Molecular Formula | C8H10O |
Exact Mass | 122.073 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-JP006254 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:30.455658 |
MetadataModified | 2024-01-11T15:56:30.637038 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CB2694649 | ChemicalBook |
218263 | Brenda |
1895 | Rhea |
106973 | Brenda |
HMDB0041609 | Human Metabolome Database |
MTBLC1895 | Metabolights |
9060 | Brenda |
ZINC000000896402 | ZINC |
DTXSID5025574 | EPA CompTox Dashboard |
XABREY | CCDC |
VTG | PDBe |
J28.550A | Nikkaji |
20035890 | NMRShiftDB |
11505 | PubChem |
15898191 | PubChem: Thomson Pharma |
EXZ915A627 | FDA SRS |
31831-37-5 | ACToR |
589-18-4 | ACToR |
SCHEMBL3337 | SureChEMBL |
185532-77-8 | ACToR |
C06757 | KEGG Ligand |
CHEMBL90100 | ChEMBL |
1895 | ChEBI |
480191 | eMolecules |
The data in this table is sourced from UniChem at EBI. |