MCLY
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ324809
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ324809 contains the MS2 mass spectrum of MCLY with the InChIkey SIGQAYSWORHPPH-GFXLLRAPSA-N.
Source: MCLY
Chemical Info
| InChI | InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+ |
|---|---|
| SMILES | COC(Cc1ccccc1)C(C)\C=C(C)\C=C/C2NC(=O)C(Cc3ccc(O)cc3)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 | SIGQAYSWORHPPH-GFXLLRAPSA-N |
| Molecular Formula | C52H71N7O13 |
| Exact Mass | 1001.511 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 | 1129cb7c-f2f2-4901-9935-6881244ab0a5 |
| Package id | msbnk-eawag-eq324809 |
| Resource type | HTML |
| State | active |