Coumarin + 1O + 1MeO, O-Hex-Hex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309352
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309352 contains the MS2 mass spectrum of Coumarin + 1O + 1MeO, O-Hex-Hex with the InChIkey QJGJAMWLRCWSIH-UHFFFAOYSA-N.
Source: Coumarin + 1O + 1MeO, O-Hex-Hex
Chemical Info
| InChI | InChI=1S/C22H28O14/c1-31-10-4-8-2-3-14(25)32-9(8)5-11(10)33-22-20(18(29)16(27)13(7-24)35-22)36-21-19(30)17(28)15(26)12(6-23)34-21/h2-5,12-13,15-24,26-30H,6-7H2,1H3 |
|---|---|
| SMILES | COC1=CC2=C(OC(=O)C=C2)C=C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
| InChI Key | QJGJAMWLRCWSIH-UHFFFAOYSA-N |
| Molecular Formula | C22H28O14 |
| Exact Mass | 516.452 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 | bd347558-46e0-4426-a764-4d4f8eb43b4f |
| Package id | msbnk-riken-pr309352 |
| Resource type | HTML |
| State | active |