Isoorientin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM000407
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM000407 contains the MS2 mass spectrum of Isoorientin with the InChIkey ODBRNZZJSYPIDI-VJXVFPJBSA-N.
Source: Isoorientin
Chemical Info
| InChI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 |
|---|---|
| SMILES | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 |
| InChI Key | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.380 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 | 632375b2-193f-4240-ba13-89abd440d23b |
| Package id | msbnk-riken_respect-pm000407 |
| Resource type | HTML |
| State | active |