Malformin A2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000873
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000873 contains the MS2 mass spectrum of Malformin A2 with the InChIkey KRQRRZFXHYYNSO-MTSZKFMLSA-N.
Source: Malformin A2
Chemical Info
| InChI | InChI=1S/C22H37N5O5S2/c1-10(2)7-13-18(28)26-17(12(5)6)22(32)25-14-8-33-34-9-15(24-19(14)29)20(30)27-16(11(3)4)21(31)23-13/h10-17H,7-9H2,1-6H3,(H,23,31)(H,24,29)(H,25,32)(H,26,28)(H,27,30)/t13-,14-,15-,16+,17+/m1/s1 |
|---|---|
| SMILES | CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)NC2=O)C(C)C |
| InChI Key | KRQRRZFXHYYNSO-MTSZKFMLSA-N |
| Molecular Formula | C22H37N5O5S2 |
| Exact Mass | 515.224 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 | e8cb5e4c-113a-4128-a072-3f928ad4f5bd |
| Package id | msbnk-aafc-ac000873 |
| Resource type | HTML |
| State | active |