Beta-Peltatin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82438
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82438 contains the MS mass spectrum of Beta-Peltatin with the InChIkey HLBPOYVRLSXWJJ-PDSMFRHLSA-N.
Source: Beta-Peltatin
Chemical Info
| InChI | InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O |
| InChI Key | HLBPOYVRLSXWJJ-PDSMFRHLSA-N |
| Molecular Formula | C22H22O8 |
| Exact Mass | 414.131 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 | c68514c0-0f04-4464-9d96-83b42b8059b4 |
| Package id | msbnk-washington_state_univ-bml82438 |
| Resource type | HTML |
| State | active |