Enniatin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000444
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000444 contains the MS2 mass spectrum of Enniatin A with the InChIkey TWHBYJSVDCWICV-BHZTXFQCSA-N.
Source: Enniatin A
Chemical Info
| InChI | InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/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@@H](C)CC)C)C(C)C |
| InChI Key | TWHBYJSVDCWICV-BHZTXFQCSA-N |
| Molecular Formula | C36H63N3O9 |
| Exact Mass | 681.456 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 | 176b02af-37e5-42d5-ad50-a90e4c75a507 |
| Package id | msbnk-aafc-ac000444 |
| Resource type | HTML |
| State | active |