Enniatin A1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000443
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000443 contains the MS2 mass spectrum of Enniatin A1 with the InChIkey OWUREPXBPJFMOK-CIRFPNLUSA-N.
Source: Enniatin A1
Chemical Info
| InChI | InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/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@@H](C)CC)C)C(C)C)C(C)C)C)C(C)C |
| InChI Key | OWUREPXBPJFMOK-CIRFPNLUSA-N |
| Molecular Formula | C35H61N3O9 |
| Exact Mass | 667.441 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 | b80d0d87-701a-44b1-853f-faa77c9085f7 |
| Package id | msbnk-aafc-ac000443 |
| Resource type | HTML |
| State | active |