Isoflavanone base + 3O, O-Hex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309191
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309191 contains the MS2 mass spectrum of Isoflavanone base + 3O, O-Hex with the InChIkey SHXLURBSILXFRW-UHFFFAOYSA-N.
Source: Isoflavanone base + 3O, O-Hex
Chemical Info
| InChI | InChI=1S/C21H22O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-15-5-9(1-4-13(15)24)12-8-29-14-6-10(23)2-3-11(14)17(12)25/h1-6,12,16,18-24,26-28H,7-8H2 |
|---|---|
| SMILES | OCC1OC(OC2=C(O)C=CC(=C2)C2COC3=C(C=CC(O)=C3)C2=O)C(O)C(O)C1O |
| InChI Key | SHXLURBSILXFRW-UHFFFAOYSA-N |
| Molecular Formula | C21H22O10 |
| Exact Mass | 434.397 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 63f65bfa-34d5-4c7a-aae2-bd64c7c428ca |
| Package id | msbnk-riken-pr309191 |
| Resource type | HTML |
| State | active |