Dataset
Deoxynivalenol-3-glucoside
Chemical Info
InChI | InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 |
---|---|
SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO |
InChI Key | PUMXWMGECQIOGB-SMSDQXDJSA-N |
Molecular Formula | C21H30O11 |
Exact Mass | 458.179 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-AC000371 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:21:40.679773 |
MetadataModified | 2024-01-11T09:21:40.828303 |
MetadataPublished | 2017-07-07 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
71312510 | PubChem |
168268 | ChEBI |
HKI01R84M9 | FDA SRS |
J2.608.309E | Nikkaji |
ZINC000100097835 | ZINC |
DTXSID10891865 | EPA CompTox Dashboard |
29781626 | eMolecules |
The data in this table is sourced from UniChem at EBI. |