Verruculogen
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000754
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000754 contains the MS2 mass spectrum of Verruculogen with the InChIkey LRXYHMMJJCTUMY-GWXUGYLUSA-N.
Source: Verruculogen
Chemical Info
| InChI | InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 |
|---|---|
| SMILES | CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C |
| InChI Key | LRXYHMMJJCTUMY-GWXUGYLUSA-N |
| Molecular Formula | C27H33N3O7 |
| Exact Mass | 511.232 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 | e0ed521d-628a-43e9-bc99-1790a4f0e9e1 |
| Package id | msbnk-aafc-ac000754 |
| Resource type | HTML |
| State | active |