epi-Pinoresinol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82413
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82413 contains the MS mass spectrum of epi-Pinoresinol with the InChIkey HGXBRUKMWQGOIE-WZBLMQSHSA-N.
Source: epi-Pinoresinol
Chemical Info
| InChI | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O |
| InChI Key | HGXBRUKMWQGOIE-WZBLMQSHSA-N |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.142 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | f86fae89-607d-43cb-9009-6068e5f73edf |
| Package id | msbnk-washington_state_univ-bml82413 |
| Resource type | HTML |
| State | active |