Daidzin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003834
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003834 contains the MS2 mass spectrum of Daidzin with the InChIkey KYQZWONCHDNPDP-QNDFHXLGSA-N.
Source: Daidzin
Chemical Info
| InChI | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI Key | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| Molecular Formula | C21H20O9 |
| Exact Mass | 416.111 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 | 5cca2b7a-ffe5-494b-aeb5-78eacfa3545b |
| Package id | msbnk-bs-bs003834 |
| Resource type | HTML |
| State | active |