Puerarin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003332
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003332 contains the MS2 mass spectrum of Puerarin with the InChIkey HKEAFJYKMMKDOR-VPRICQMDSA-N.
Source: Puerarin
Chemical Info
| InChI | InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1C2=C(OC3=C(C2=O)C(=C(C(=C3[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])O[H])[H])[H])[H])[H])[H])O[H])[H])[H] |
| InChI Key | HKEAFJYKMMKDOR-VPRICQMDSA-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 | 198ad5ca-30a1-40dd-a4b8-88d1703e63a8 |
| Package id | msbnk-bs-bs003332 |
| Resource type | HTML |
| State | active |