ENNIATIN-C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000154
Dataset description:
This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000154 contains the MS mass spectrum of ENNIATIN-C with the InChIkey WICJNWLMJRLFKQ-NHODMIADSA-N.
Source: ENNIATIN-C
Chemical Info
| InChI | InChI=1S/C36H63N3O9/c1-19(2)16-25-34(43)46-29(23(9)10)32(41)38(14)27(18-21(5)6)36(45)48-30(24(11)12)33(42)39(15)26(17-20(3)4)35(44)47-28(22(7)8)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t25-,26-,27-,28+,29+,30+/m0/s1 |
|---|---|
| SMILES | CN(C(=O)1)C([H])(CC(C)C)C(=O)OC(C(N(C)C([H])(CC(C)C)C(=O)OC(C(N(C)C([H])(CC(C)C)C(=O)OC1(C(C)C)[H])=O)(C(C)C)[H])=O)(C(C)C)[H] |
| InChI Key | WICJNWLMJRLFKQ-NHODMIADSA-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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | c37d761e-3ebd-4e9e-a769-8ab96540c5d5 |
| Package id | msbnk-fac_eng_univ_tokyo-jp000154 |
| Resource type | HTML |
| State | active |