epsilon-Viniferin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304264
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304264 contains the MS2 mass spectrum of epsilon-Viniferin with the InChIkey FQWLMRXWKZGLFI-YVYUXZJTSA-N.
Source: epsilon-Viniferin
Chemical Info
InChI | InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1 |
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SMILES | OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1 |
InChI Key | FQWLMRXWKZGLFI-YVYUXZJTSA-N |
Molecular Formula | C28H22O6 |
Exact Mass | 454.478 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 | 801ee1fc-e312-42f4-88cd-7dbb2cb14d3b |
Package id | msbnk-riken-pr304264 |
Resource type | HTML |
State | active |