LTD4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000320
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000320 contains the MS2 mass spectrum of LTD4 with the InChIkey YEESKJGWJFYOOK-IJHYULJSSA-N.
Source: LTD4
Chemical Info
| InChI | InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1 |
|---|---|
| SMILES | CCCCCC=CCC=CC=CC=CC([H])(SCC([H])(N)C(=O)NCC(O)=O)C([H])(O)CCCC(O)=O |
| InChI Key | YEESKJGWJFYOOK-IJHYULJSSA-N |
| Molecular Formula | C25H40N2O6S |
| Exact Mass | 496.261 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 | a6b63d9b-a336-49db-b00a-9f06e220b72d |
| Package id | msbnk-chubu_univ-ut000320 |
| Resource type | HTML |
| State | active |