MCLF
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ324755
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ324755 contains the MS2 mass spectrum of MCLF with the InChIkey FEVBMCJUKWWWBT-BNIOFCGNSA-N.
Source: MCLF
Chemical Info
| InChI | InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+ |
|---|---|
| SMILES | COC(Cc1ccccc1)C(C)/C=C(C)/C=C/C2NC(=O)C(Cc3ccccc3)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C2C)C(O)=O)C(O)=O |
| InChI Key | FEVBMCJUKWWWBT-BNIOFCGNSA-N |
| Molecular Formula | C52H71N7O12 |
| Exact Mass | 985.516 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 | 186c17c4-9f0d-494d-8a5a-444f6d506f27 |
| Package id | msbnk-eawag-eq324755 |
| Resource type | HTML |
| State | active |