Dataset
Aflatoxin G2
Chemical Info
InChI | InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 |
---|---|
SMILES | COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 |
InChI Key | WPCVRWVBBXIRMA-WNWIJWBNSA-N |
Molecular Formula | C17H14O7 |
Exact Mass | 330.074 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000043 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:24:20.027380 |
MetadataModified | 2024-01-11T09:24:20.208679 |
MetadataPublished | 2017-07-07 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID80891796 | EPA CompTox Dashboard |
CB3291098 | ChemicalBook |
92317 | Brenda |
ZINC000002029390 | ZINC |
80705 | ChEBI |
HY-N6698 | MedChemExpress |
J9.341F | Nikkaji |
2MS0D8WA29 | FDA SRS |
2724362 | PubChem |
70004200 | NMRShiftDB |
PD041802 | ProbesDrugs |
476042 | eMolecules |
29371354 | eMolecules |
C16754 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |