KU60648
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000200
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000200 contains the MS2 mass spectrum of KU60648 with the InChIkey AATCBLYHOUOCTO-UHFFFAOYSA-N.
Source: KU60648
Chemical Info
| InChI | InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39) |
|---|---|
| SMILES | CCN1CCN(CC1)CC(Nc(ccc2c(ccc3)c4c3c(=O)cc(N5CCOCC5)o4)c6c2sc7c6cccc7)=O |
| InChI Key | AATCBLYHOUOCTO-UHFFFAOYSA-N |
| Molecular Formula | C33H34N4O4S |
| Exact Mass | 582.230 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 4.0 International (CC BY 4.0) |
| Id | 1c893e70-a981-44c3-a8b6-866a8849ae4c |
| Package id | msbnk-uob-xb000200 |
| Resource type | HTML |
| State | active |