Dataset
Aflatoxin M1
Chemical Info
InChI | InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1 |
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SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O |
InChI Key | MJBWDEQAUQTVKK-IAGOWNOFSA-N |
Molecular Formula | C17H12O7 |
Exact Mass | 328.058 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-AC000049 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:23:46.331032 |
MetadataModified | 2024-01-11T09:23:46.499729 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C16756 | KEGG Ligand |
499350 | eMolecules |
DTXSID40891797 | EPA CompTox Dashboard |
HMDB0030479 | Human Metabolome Database |
MTBLC78576 | Metabolights |
92319 | Brenda |
ZINC000000402666 | ZINC |
CB7494530 | ChemicalBook |
78576 | ChEBI |
J5.140C | Nikkaji |
15558498 | PubChem |
I3020O28I3 | FDA SRS |
60026041 | NMRShiftDB |
PD133589 | ProbesDrugs |
The data in this table is sourced from UniChem at EBI. |