Speciosine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304891
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304891 contains the MS2 mass spectrum of Speciosine with the InChIkey SOFSXTKPGSIDCI-UHFFFAOYSA-N.
Source: Speciosine
Chemical Info
| InChI | InChI=1S/C28H31NO6/c1-29(16-18-8-6-7-9-22(18)30)21-12-10-17-14-25(33-3)27(34-4)28(35-5)26(17)19-11-13-24(32-2)23(31)15-20(19)21/h6-9,11,13-15,21,30H,10,12,16H2,1-5H3 |
|---|---|
| SMILES | COC1=C(OC)C(OC)=C2C(CCC(N(C)CC3=CC=CC=C3O)C3=CC(=O)C(OC)=CC=C23)=C1 |
| InChI Key | SOFSXTKPGSIDCI-UHFFFAOYSA-N |
| Molecular Formula | C28H31NO6 |
| Exact Mass | 477.557 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 | ff1c16ee-f516-40cd-aa99-597adbf4bdda |
| Package id | msbnk-riken-pr304891 |
| Resource type | HTML |
| State | active |