Tiamulin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105504
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU105504 contains the MS2 mass spectrum of Tiamulin with the InChIkey UURAUHCOJAIIRQ-QGLSALSOSA-N.
Source: Tiamulin
Chemical Info
| InChI | InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 |
|---|---|
| SMILES | CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C |
| InChI Key | UURAUHCOJAIIRQ-QGLSALSOSA-N |
| Molecular Formula | C28H47NO4S |
| Exact Mass | 493.323 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 4.0 International (CC BY 4.0) |
| Id | aadbc394-fa34-4ec7-8e9f-f2defb1b8410 |
| Package id | msbnk-athens_univ-au105504 |
| Resource type | HTML |
| State | active |