alpha-Cyclopiazonic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000050
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000050 contains the MS2 mass spectrum of alpha-Cyclopiazonic acid with the InChIkey SZINUGQCTHLQAZ-DQYPLSBCSA-N.
Source: alpha-Cyclopiazonic acid
Chemical Info
| InChI | InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1 |
|---|---|
| SMILES | CC(=O)C1=C([C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O |
| InChI Key | SZINUGQCTHLQAZ-DQYPLSBCSA-N |
| Molecular Formula | C20H20N2O3 |
| Exact Mass | 336.147 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 | 7402770a-63b0-45d8-8f60-91b7dc198a11 |
| Package id | msbnk-aafc-ac000050 |
| Resource type | HTML |
| State | active |