Flavone base + 3O, C-Pen-FeruloylHex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311026
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311026 contains the MS2 mass spectrum of Flavone base + 3O, C-Pen-FeruloylHex with the InChIkey IWFBTVKUANPWLB-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C36H36O17/c1-48-22-10-15(2-8-18(22)39)3-9-26(42)53-35-33(47)29(43)24(13-37)51-36(35)52-25-14-49-34(32(46)30(25)44)28-20(41)12-23-27(31(28)45)19(40)11-21(50-23)16-4-6-17(38)7-5-16/h2-12,24-25,29-30,32-39,41,43-47H,13-14H2,1H3 |
|---|---|
| SMILES | COC1=C(O)C=CC(C=CC(=O)OC2C(O)C(O)C(CO)OC2OC2COC(C(O)C2O)C2=C(O)C3=C(OC(=CC3=O)C3=CC=C(O)C=C3)C=C2O)=C1 |
| InChI Key | IWFBTVKUANPWLB-UHFFFAOYSA-N |
| Molecular Formula | C36H36O17 |
| Exact Mass | 740.667 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 | a4bd9b75-5428-4bca-8c84-3d1636a3389d |
| Package id | msbnk-riken-pr311026 |
| Resource type | HTML |
| State | active |