Esculetin, Esculin aglycon, Cichorigenin,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS125003
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS125003 contains the MS2 mass spectrum of Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin...
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 | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| InChI Key | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| Molecular Formula | C9H6O4 |
| Exact Mass | 178.143 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 | 117f1835-d75f-4406-a4c5-2f6c62ec5c07 |
| Package id | msbnk-riken_respect-ps125003 |
| Resource type | HTML |
| State | active |