Dataset
Citrinin
Chemical Info
InChI | InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1 |
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SMILES | C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
Molecular Formula | C13H14O5 |
Exact Mass | 250.084 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-AC000431 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:23:26.256058 |
MetadataModified | 2024-01-11T09:23:26.411060 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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54680783 | PubChem |
J2.339.609B | Nikkaji |
PD147937 | ProbesDrugs |
60077644 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |