trans-piceid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308288
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308288 contains the MS2 mass spectrum of trans-piceid with the InChIkey HSTZMXCBWJGKHG-UHFFFAOYSA-N.
Source: trans-piceid
Chemical Info
| InChI | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2 |
|---|---|
| SMILES | OCC1OC(OC2=CC(C=CC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O |
| InChI Key | HSTZMXCBWJGKHG-UHFFFAOYSA-N |
| Molecular Formula | C20H22O8 |
| Exact Mass | 390.388 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 | eaa95bbe-126b-478e-b537-0fcb14777a65 |
| Package id | msbnk-riken-pr308288 |
| Resource type | HTML |
| State | active |