Enniatin B1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000462
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000462 contains the MS2 mass spectrum of Enniatin B1 with the InChIkey UQCSETXJXJTMKO-UMURLBKASA-N.
Source: Enniatin B1
Chemical Info
| InChI | InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C |
| InChI Key | UQCSETXJXJTMKO-UMURLBKASA-N |
| Molecular Formula | C34H59N3O9 |
| Exact Mass | 653.425 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 | bc078c71-5f41-4797-8129-10b79697a802 |
| Package id | msbnk-aafc-ac000462 |
| Resource type | HTML |
| State | active |