Esculin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00468
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00468 contains the MS2 mass spectrum of Esculin with the InChIkey XHCADAYNFIFUHF-UHFFFAOYSA-N.
Source: Esculin
Chemical Info
| InChI | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 |
|---|---|
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI Key | XHCADAYNFIFUHF-UHFFFAOYSA-N |
| Molecular Formula | C15H16O9 |
| Exact Mass | 340.079 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 6c7e3c93-1f84-46d1-b293-c637e3c7c0b3 |
| Package id | msbnk-washington_state_univ-bml00468 |
| Resource type | HTML |
| State | active |