Anabaenopeptin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ435602
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ435602 contains the MS2 mass spectrum of Anabaenopeptin A with the InChIkey JWVKNHDSRADFFA-UHFFFAOYSA-N.
Source: Anabaenopeptin A
Chemical Info
| InChI | InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61) |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)CC4=CC=CC=C4 |
| InChI Key | JWVKNHDSRADFFA-UHFFFAOYSA-N |
| Molecular Formula | C44H57N7O10 |
| Exact Mass | 843.417 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 | f5eec410-ae71-4b8e-9de2-673a10b049ba |
| Package id | msbnk-eawag-eq435602 |
| Resource type | HTML |
| State | active |