Myricitrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00199
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00199 contains the MS2 mass spectrum of Myricitrin with the InChIkey DCYOADKBABEMIQ-OWMUPTOHSA-N.
Source: Myricitrin
Chemical Info
| InChI | InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1 |
|---|---|
| SMILES | Oc(c4)cc(O1)c(c(O)4)C(=O)C(O[C@H](O3)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)3)=C1c(c2)cc(O)c(O)c(O)2 |
| InChI Key | DCYOADKBABEMIQ-OWMUPTOHSA-N |
| Molecular Formula | C21H20O12 |
| Exact Mass | 464.095 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 | e91876a8-64bf-4861-9265-04da17118666 |
| Package id | msbnk-fiocruz-fio00199 |
| Resource type | HTML |
| State | active |