Rosmarinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308806
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308806 contains the MS2 mass spectrum of Rosmarinic acid with the InChIkey DOUMFZQKYFQNTF-UHFFFAOYSA-N.
Source: Rosmarinic acid
Chemical Info
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) |
|---|---|
| SMILES | OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)C=CC1=CC=C(O)C(O)=C1 |
| InChI Key | DOUMFZQKYFQNTF-UHFFFAOYSA-N |
| Molecular Formula | C18H16O8 |
| Exact Mass | 360.318 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | b4331829-4e9d-406d-a7ac-4a93a6235621 |
| Package id | msbnk-riken-pr308806 |
| Resource type | HTML |
| State | active |