Bergamottin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80813
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML80813 contains the MS mass spectrum of Bergamottin with the InChIkey DBMJZOMNXBSRED-UHFFFAOYSA-N.
Source: Bergamottin
Chemical Info
| InChI | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3 |
|---|---|
| SMILES | CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C |
| InChI Key | DBMJZOMNXBSRED-UHFFFAOYSA-N |
| Molecular Formula | C21H22O4 |
| Exact Mass | 338.152 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 | 51c4da13-e94f-4fc3-875f-d268147bfc25 |
| Package id | msbnk-washington_state_univ-bml80813 |
| Resource type | HTML |
| State | active |