Sissotrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003322
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003322 contains the MS2 mass spectrum of Sissotrin with the InChIkey LFEUICHQZGNOHD-RECXWPGBSA-N.
Source: Sissotrin
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/t16-,19-,20+,21-,22-/m1/s1 |
|---|---|
| SMILES | O=C1C=2C(O[H])=C(C(O[C@]3([H])O[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(O[H])([H])[H])=C(C2OC(=C1C=4C(=C(C(OC([H])([H])[H])=C(C4[H])[H])[H])[H])[H])[H])[H] |
| InChI Key | LFEUICHQZGNOHD-RECXWPGBSA-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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 4b6e823d-3967-4668-9712-8f0a9bf6bcd7 |
| Package id | msbnk-bs-bs003322 |
| Resource type | HTML |
| State | active |