HT-2 Toxin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000159
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000159 contains the MS2 mass spectrum of HT-2 Toxin with the InChIkey PNKLMTPXERFKEN-MLXHEQMXSA-N.
Source: HT-2 Toxin
Chemical Info
| InChI | InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C |
| InChI Key | PNKLMTPXERFKEN-MLXHEQMXSA-N |
| Molecular Formula | C22H32O8 |
| Exact Mass | 424.210 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 | 17aa6704-65b4-40b5-a0ea-6c1b12fdecd4 |
| Package id | msbnk-aafc-ac000159 |
| Resource type | HTML |
| State | active |