3-Glu-3,4',7-trihydroxyisoflavanone (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001197
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001197 contains the MS mass spectrum of 3-Glu-3,4',7-trihydroxyisoflavanone (NMR) with the InChIkey BTODFHHNMFOZHK-FEUJFKKFSA-N.
Source: 3-Glu-3,4',7-trihydroxyisoflavanone (NMR); LC-ESI-QTOF; MS
Chemical Info
| InChI | InChI=1S/C21H22O10/c22-8-15-16(25)17(26)18(27)20(30-15)31-21(10-1-3-11(23)4-2-10)9-29-14-7-12(24)5-6-13(14)19(21)28/h1-7,15-18,20,22-27H,8-9H2/t15-,16-,17+,18-,20+,21?/m1/s1 |
|---|---|
| SMILES | C1(=CC=C2C(=C1)OCC(C2=O)(C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI Key | BTODFHHNMFOZHK-FEUJFKKFSA-N |
| Exact Mass | 434.121 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 | ea3b1d25-fc32-4ebb-8149-dae9d468d3d3 |
| Package id | msbnk-bs-bs001197 |
| Resource type | HTML |
| State | active |