Coumestrol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003251
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003251 contains the MS2 mass spectrum of Coumestrol with the InChIkey ZZIALNLLNHEQPJ-UHFFFAOYSA-N.
Source: Coumestrol
Chemical Info
| InChI | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
|---|---|
| SMILES | C1(=C(C2=C(C(=C1O[H])[H])OC3=C2C(=O)OC4=C3C(=C(C(=C4[H])O[H])[H])[H])[H])[H] |
| InChI Key | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| Molecular Formula | C15H8O5 |
| Exact Mass | 268.037 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 | bc04aeeb-b580-4329-844a-54befae7e141 |
| Package id | msbnk-bs-bs003251 |
| Resource type | HTML |
| State | active |