Baic-7-GlcA, Baicalin,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS041511
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS041511 contains the MS2 mass spectrum of Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein...
Source: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate
Chemical Info
| InChI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29) |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| InChI Key | IKIIZLYTISPENI-UHFFFAOYSA-N |
| Molecular Formula | C21H18O11 |
| Exact Mass | 446.364 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 4.0 International (CC BY-NC 4.0) |
| Id | a8b36737-d477-4858-9133-c9969d5fcab4 |
| Package id | msbnk-riken_respect-ps041511 |
| Resource type | HTML |
| State | active |