12:4+4O fatty acyl hexoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309338
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309338 contains the MS2 mass spectrum of 12:4+4O fatty acyl hexoside with the InChIkey JWAGJGCOOSEMAU-UHFFFAOYSA-N.
Source: 12:4+4O fatty acyl hexoside
Chemical Info
| InChI | InChI=1S/C18H28O10/c1-9(11(20)7-13(21)22)5-3-4-6-10(2)17(26)28-18-16(25)15(24)14(23)12(8-19)27-18/h3-4,6,9,11-12,14-16,18-20,23-25H,5,7-8H2,1-2H3,(H,21,22) |
|---|---|
| SMILES | O=C(O)CC(O)C(C)CC=CC=C(C(=O)OC1OC(CO)C(O)C(O)C1(O))C |
| InChI Key | JWAGJGCOOSEMAU-UHFFFAOYSA-N |
| Molecular Formula | C18H28O10 |
| Exact Mass | 404.412 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 | 6a320912-f2c4-4469-ba35-a8c33c0ea0f6 |
| Package id | msbnk-riken-pr309338 |
| Resource type | HTML |
| State | active |