Enniatin B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000459
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000459 contains the MS2 mass spectrum of Enniatin B with the InChIkey MIZMDSVSLSIMSC-VYLWARHZSA-N.
Source: Enniatin B
Chemical Info
| InChI | InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1 |
|---|---|
| SMILES | CC(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 | MIZMDSVSLSIMSC-VYLWARHZSA-N |
| Molecular Formula | C33H57N3O9 |
| Exact Mass | 639.409 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 | d4c9aad1-6936-4e69-94ec-f262f8c0dc18 |
| Package id | msbnk-aafc-ac000459 |
| Resource type | HTML |
| State | active |