Sissotrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00186
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00186 contains the MS2 mass spectrum of Sissotrine with the InChIkey LFEUICHQZGNOHD-UHFFFAOYSA-N.
Source: Sissotrine
Chemical Info
| InChI | InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O |
| InChI Key | LFEUICHQZGNOHD-UHFFFAOYSA-N |
| Molecular Formula | C22H22O10 |
| Exact Mass | 446.121 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 | 516bdcef-ed95-4265-9edf-886b1d33659d |
| Package id | msbnk-washington_state_univ-bml00186 |
| Resource type | HTML |
| State | active |