Fumonisin B3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000493
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000493 contains the MS2 mass spectrum of Fumonisin B3 with the InChIkey CPCRJSQNWHCGOP-ZBUYIUKQSA-N.
Source: Fumonisin B3
Chemical Info
| InChI | InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22+,23?,24?,25+,26-,27-,32+/m0/s1 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@@H]([C@@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| InChI Key | CPCRJSQNWHCGOP-ZBUYIUKQSA-N |
| Molecular Formula | C34H59NO14 |
| Exact Mass | 705.394 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 | 5c1c0615-517a-4677-9630-6d0fa5b2f751 |
| Package id | msbnk-aafc-ac000493 |
| Resource type | HTML |
| State | active |