4-HDoHE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000160
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000160 contains the MS2 mass spectrum of 4-HDoHE with the InChIkey IFRKCNPQVIJFAQ-PQVBWYSWSA-N.
Source: 4-HDoHE
Chemical Info
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+ |
|---|---|
| SMILES | CCC=CCC=CCC=CCC=CCC=CC=CC(O)CCC(O)=O |
| InChI Key | IFRKCNPQVIJFAQ-PQVBWYSWSA-N |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235 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 | 35fd26c7-f26f-472a-b6e8-25d7c13ffbeb |
| Package id | msbnk-chubu_univ-ut000160 |
| Resource type | HTML |
| State | active |