Oscillamide Y
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ436004
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ436004 contains the MS2 mass spectrum of Oscillamide Y with the InChIkey KCAKUFQSCADGHZ-JNFDXLRCSA-N.
Source: Oscillamide Y
Chemical Info
| InChI | InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O |
| InChI Key | KCAKUFQSCADGHZ-JNFDXLRCSA-N |
| Molecular Formula | C45H59N7O10 |
| Exact Mass | 857.432 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 | 1e90f9b9-870e-4f6f-be4e-0d4940d68bb7 |
| Package id | msbnk-eawag-eq436004 |
| Resource type | HTML |
| State | active |