Aesculetin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00083
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00083 contains the MS2 mass spectrum of Aesculetin with the InChIkey ILEDWLMCKZNDJK-UHFFFAOYSA-N.
Source: Aesculetin
Chemical Info
| InChI | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
|---|---|
| SMILES | O=C(C=2)Oc(c1)c(C2)cc(O)c(O)1 |
| InChI Key | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| Molecular Formula | C9H6O4 |
| Exact Mass | 178.027 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 | b8e5e21f-23b1-4c7a-94f3-9d3f0c6867f4 |
| Package id | msbnk-fiocruz-fio00083 |
| Resource type | HTML |
| State | active |