Orientin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003371
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003371 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 | C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])[H])O[H])[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])[H])O[H])O[H])[H])[H] |
| 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 522590c8-fa16-4b43-8f92-d2bc3acef22a |
| Package id | msbnk-bs-bs003371 |
| Resource type | HTML |
| State | active |