Fumonisin B4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000659
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000659 contains the MS2 mass spectrum of Fumonisin B4 with the InChIkey WYYKRDVIBOEORL-JLCKPESSSA-N.
Source: Fumonisin B4
Chemical Info
| InChI | InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H]([C@H](C)N)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
| InChI Key | WYYKRDVIBOEORL-JLCKPESSSA-N |
| Molecular Formula | C34H59NO13 |
| Exact Mass | 689.399 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 | b5fb7e60-47b2-4561-b940-7df0fa3f8d78 |
| Package id | msbnk-aafc-ac000659 |
| Resource type | HTML |
| State | active |