Heliotrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002909
Dataset description:
This MassBank record with Accession MSBNK-NaToxAq-NA002909 contains the MS2 mass spectrum of Heliotrine with the InChIkey LMFKRLGHEKVMNT-UJDVCPFMSA-N.
Source: Heliotrine
Chemical Info
| InChI | InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1 |
|---|---|
| SMILES | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)OC |
| InChI Key | LMFKRLGHEKVMNT-UJDVCPFMSA-N |
| Molecular Formula | C16H27NO5 |
| Exact Mass | 313.189 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 | No License Provided |
| Id | df79d7fe-cb4a-4648-9a9c-872f19c69e1a |
| Package id | msbnk-natoxaq-na002909 |
| Resource type | HTML |
| State | active |