Dataset
Zearalenone
Chemical Info
InChI | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 |
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SMILES | C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O |
InChI Key | MBMQEIFVQACCCH-QBODLPLBSA-N |
Molecular Formula | C18H22O5 |
Exact Mass | 318.147 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-AC000289 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:24:41.840057 |
MetadataModified | 2024-01-11T09:24:41.992358 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-7589492367 | Mcule |
5281576 | PubChem |
533474 | eMolecules |
CB4131407 | ChemicalBook |
MTBLC10106 | Metabolights |
16728 | Brenda |
60027499 | NMRShiftDB |
PD020069 | ProbesDrugs |
zearalenone | Atlas |
14850406 | PubChem: Thomson Pharma |
ZER | PDBe |
SCHEMBL33754 | SureChEMBL |
5W827M159J | FDA SRS |
HY-103447 | MedChemExpress |
DTXSID0021460 | EPA CompTox Dashboard |
LMPK04000016 | LipidMaps |
50247676 | BindingDB |
J2.749I | Nikkaji |
J3.201.628F | Nikkaji |
ZEARLN | CCDC |
ZINC000003881412 | ZINC |
CHEMBL454173 | ChEMBL |
10106 | ChEBI |
C09981 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |