Beauvericin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000579
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000579 contains the MS2 mass spectrum of Beauvericin with the InChIkey GYSCAQFHASJXRS-FFCOJMSVSA-N.
Source: Beauvericin
Chemical Info
| InChI | InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C |
| InChI Key | GYSCAQFHASJXRS-FFCOJMSVSA-N |
| Molecular Formula | C45H57N3O9 |
| Exact Mass | 783.409 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 | d8d07f12-4139-4576-b681-6d1045c09507 |
| Package id | msbnk-aafc-ac000579 |
| Resource type | HTML |
| State | active |