Nivalenol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000518
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000518 contains the MS2 mass spectrum of Nivalenol with the InChIkey UKOTXHQERFPCBU-XBXCNEFVSA-N.
Source: Nivalenol
Chemical Info
| InChI | InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO |
| InChI Key | UKOTXHQERFPCBU-XBXCNEFVSA-N |
| Molecular Formula | C15H20O7 |
| Exact Mass | 312.121 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | b3605646-a752-4831-a003-fc2f2556e04e |
| Package id | msbnk-aafc-ac000518 |
| Resource type | HTML |
| State | active |