Dataset
Bergapten
Chemical Info
| InChI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
|---|---|
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| InChI Key | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
| Exact Mass | 216.042 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00701 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:12:29.123801 |
| MetadataModified | 2025-02-09T20:11:27.338071 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |