Rubone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01728
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01728 contains the MS2 mass spectrum of Rubone with the InChIkey VHCQVGQULWFQTM-UHFFFAOYSA-N.
Source: Rubone
Chemical Info
| InChI | InChI=1S/C20H22O7/c1-23-13-9-15(22)20(19(10-13)27-5)14(21)7-6-12-8-17(25-3)18(26-4)11-16(12)24-2/h6-11,22H,1-5H3 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=C(C=C2OC)OC)OC)O |
| InChI Key | VHCQVGQULWFQTM-UHFFFAOYSA-N |
| Molecular Formula | C20H22O7 |
| Exact Mass | 374.137 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 | c03fad7c-50dd-4220-b2b6-f97bb5b8ecf4 |
| Package id | msbnk-washington_state_univ-bml01728 |
| Resource type | HTML |
| State | active |