Limocitrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01619
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01619 contains the MS2 mass spectrum of Limocitrin with the InChIkey IBXCKSUZOFKGSB-UHFFFAOYSA-N.
Source: Limocitrin
Chemical Info
| InChI | InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O |
| InChI Key | IBXCKSUZOFKGSB-UHFFFAOYSA-N |
| Molecular Formula | C17H14O8 |
| Exact Mass | 346.069 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 | 0c284481-cd40-44dd-b72b-133360839737 |
| Package id | msbnk-washington_state_univ-bml01619 |
| Resource type | HTML |
| State | active |