Triacylglycerol 17:1-18:1-18:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000554
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000554 contains the MS mass spectrum of Triacylglycerol 17:1-18:1-18:1 with the InChIkey URECVIHFNYVHHN-AGPHHGIASA-N.
Source: Triacylglycerol 17:1-18:1-18:1
Chemical Info
| InChI | InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h39-44,53H,4-38,45-52H2,1-3H3/b42-39-,43-40-,44-41- |
|---|---|
| SMILES | C(CC)CCCCCCCCCC=CCCC(OCC(COC(CCC=CCCCCCCCCCCCCC)=O)OC(CCC=CCCCCCCCCCCCCC)=O)=O |
| InChI Key | URECVIHFNYVHHN-AGPHHGIASA-N |
| Molecular Formula | C56H102O6 |
| Exact Mass | 870.768 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 | 10840018-ea59-49eb-a36b-749df5af3d0f |
| Package id | msbnk-chubu_univ-ut000554 |
| Resource type | HTML |
| State | active |