Dataset
Gentisyl alcohol
Chemical Info
InChI | InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2 |
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SMILES | C1=CC(=C(C=C1O)CO)O |
InChI Key | PUZSUVGRVHEUQO-UHFFFAOYSA-N |
Molecular Formula | C7H8O3 |
Exact Mass | 140.047 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000720 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:21:47.951545 |
MetadataModified | 2024-01-11T09:21:48.114182 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5325 | Rhea |
5325 | ChEBI |
ZINC000000900388 | ZINC |
20204151 | NMRShiftDB |
MolPort-008-268-261 | MolPort |
J11.774I | Nikkaji |
DTXSID60197804 | EPA CompTox Dashboard |
188287 | PubChem |
MTBLC5325 | Metabolights |
T8T2WY38GH | FDA SRS |
495-08-9 | ACToR |
SCHEMBL829492 | SureChEMBL |
15321484 | PubChem: Thomson Pharma |
C10792 | KEGG Ligand |
CHEMBL448800 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |