Isoschaftoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00725
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00725 contains the MS2 mass spectrum of Isoschaftoside with the InChIkey OVMFOVNOXASTPA-VYUBKLCTSA-N.
Source: Isoschaftoside
Chemical Info
| InChI | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1 |
|---|---|
| SMILES | Oc(c([C@H](O5)[C@@H]([C@H]([C@@H]([C@H]5CO)O)O)O)1)c([C@H](O4)[C@@H]([C@@H](O)[C@@H](O)C4)O)c(c(C2=O)c1OC(c(c3)ccc(O)c3)=C2)O |
| InChI Key | OVMFOVNOXASTPA-VYUBKLCTSA-N |
| Molecular Formula | C26H28O14 |
| Exact Mass | 564.148 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 | b81fc02a-07ae-4487-9590-8094ad59c59e |
| Package id | msbnk-fiocruz-fio00725 |
| Resource type | HTML |
| State | active |