Isoorientin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00710
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00710 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 | OCC(C(O)4)OC(C(O)C(O)4)c(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cc(O)c(O)c2)c1 |
| InChI Key | ODBRNZZJSYPIDI-VJXVFPJBSA-N |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.101 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 | 2323b462-96ea-4a39-99ce-8cf76c57b1e5 |
| Package id | msbnk-fiocruz-fio00710 |
| Resource type | HTML |
| State | active |