AAL toxin TB
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000012
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000012 contains the MS2 mass spectrum of AAL toxin TB with the InChIkey CTXQVLLVFBNZKL-YVEDVMJTSA-N.
Source: AAL toxin TB
Chemical Info
| InChI | InChI=1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18?,19+,20-,21-,24+/m0/s1 |
|---|---|
| SMILES | CC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H](CN)O)O)OC(=O)CC(CC(=O)O)C(=O)O)O |
| InChI Key | CTXQVLLVFBNZKL-YVEDVMJTSA-N |
| Molecular Formula | C25H47NO9 |
| Exact Mass | 505.325 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 | c423771d-9ab5-43fa-b713-97e227fb0d85 |
| Package id | msbnk-aafc-ac000012 |
| Resource type | HTML |
| State | active |