Petiline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301410
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301410 contains the MS2 mass spectrum of Petiline with the InChIkey QAGPPGDCPAPQLW-HAQROMNMSA-N.
Source: Petiline
Chemical Info
| InChI | InChI=1S/C27H43NO2/c1-16-5-8-24(28-15-16)17(2)20-6-7-21-19-14-25(30)23-13-18(29)9-11-27(23,4)22(19)10-12-26(20,21)3/h16-23,29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23+,26+,27+/m0/s1 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1=NC[C@@H](C)CC1 |
| InChI Key | QAGPPGDCPAPQLW-HAQROMNMSA-N |
| Molecular Formula | C27H43NO2 |
| Exact Mass | 413.646 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | da871590-2c99-4e07-abd8-97636384c2dc |
| Package id | msbnk-riken-pr301410 |
| Resource type | HTML |
| State | active |