Myricitrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00195
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00195 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 |
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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 |
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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 | 34a51df8-5d1b-41c2-b3af-92cf792104c6 |
Package id | msbnk-fiocruz-fio00195 |
Resource type | HTML |
State | active |