Dataset
Fusarenone-X
Chemical Info
InChI | InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1 |
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SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO |
InChI Key | XGCUCFKWVIWWNW-CAYGJDLQSA-N |
Molecular Formula | C17H22O8 |
Exact Mass | 354.131 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-AC000143 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:22:56.658145 |
MetadataModified | 2024-01-11T09:22:56.796912 |
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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CHEMBL1079719 | ChEMBL |
499552 | eMolecules |
304599 | PubChem |
PD044437 | ProbesDrugs |
60059546 | NMRShiftDB |
0CV8D1DR96 | FDA SRS |
J34.150I | Nikkaji |
ZINC000005327851 | ZINC |
The data in this table is sourced from UniChem at EBI. |