Beauvericin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00697
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00697 contains the MS2 mass spectrum of Beauvericin with the InChIkey GYSCAQFHASJXRS-UHFFFAOYSA-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 |
|---|---|
| SMILES | O(C(C(C)C)4)C(C(N(C)C(=O)C(OC(C(N(C)C(=O)C(OC(C(N(C)C(=O)4)Cc(c3)cccc3)=O)C(C)C)Cc(c2)cccc2)=O)C(C)C)Cc(c1)cccc1)=O |
| InChI Key | GYSCAQFHASJXRS-UHFFFAOYSA-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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 139ce3a9-1aa1-4e62-bee3-8416267bc0e3 |
| Package id | msbnk-fiocruz-fio00697 |
| Resource type | HTML |
| State | active |