Dataset
m-Anisic-acid
Chemical Info
InChI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
---|---|
SMILES | COc(c1)cc(cc1)C(O)=O |
InChI Key | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
Exact Mass | 152.047 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00524 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:13.531369 |
MetadataModified | 2024-01-11T16:35:13.754351 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
11461 | PubChem |
PD099440 | ProbesDrugs |
OVM | PDBe |
MTBLC88458 | Metabolights |
15486754 | PubChem: Thomson Pharma |
586-38-9 | ACToR |
SCHEMBL63427 | SureChEMBL |
E2I36FH6QZ | FDA SRS |
153715 | Brenda |
21627 | Brenda |
HMDB0032606 | Human Metabolome Database |
CB2718147 | ChemicalBook |
137255 | Brenda |
104847 | Brenda |
10008785 | NMRShiftDB |
MCULE-2205929978 | Mcule |
479324 | eMolecules |
CHEMBL22425 | ChEMBL |
HY-Y0760 | MedChemExpress |
88458 | ChEBI |
DTXSID2060410 | EPA CompTox Dashboard |
50405321 | BindingDB |
J6.737G | Nikkaji |
EFINEO | CCDC |
ZINC000000120430 | ZINC |
The data in this table is sourced from UniChem at EBI. |