Spiraeoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003313
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003313 contains the MS2 mass spectrum of Spiraeoside with the InChIkey OIUBYZLTFSLSBY-HMGRVEAOSA-N.
Source: Spiraeoside
Chemical Info
| InChI | InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[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] |
| InChI Key | OIUBYZLTFSLSBY-HMGRVEAOSA-N |
| Molecular Formula | C21H20O12 |
| Exact Mass | 464.096 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 | bac07682-15cc-4628-ac43-ceaf28bd3511 |
| Package id | msbnk-bs-bs003313 |
| Resource type | HTML |
| State | active |