Orientin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00698
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00698 contains the MS2 mass spectrum of Orientin with the InChIkey PLAPMLGJVGLZOV-VPRICQMDSA-N.
Source: Orientin
Chemical Info
| InChI | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 |
|---|---|
| SMILES | OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cc(O)c(O)c2)1 |
| InChI Key | PLAPMLGJVGLZOV-VPRICQMDSA-N |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.101 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 4.0 International (CC BY-NC 4.0) |
| Id | 38b72559-f0ae-46fd-854a-a9109041dcbe |
| Package id | msbnk-fiocruz-fio00698 |
| Resource type | HTML |
| State | active |