Rosmarinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N108926_9C9C
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108926_9C9C contains the MS2 mass spectrum of Rosmarinic acid with the InChIkey DOUMFZQKYFQNTF-WUTVXBCWSA-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)/b6-3+/t16-/m1/s1 |
|---|---|
| SMILES | OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1 |
| InChI Key | DOUMFZQKYFQNTF-WUTVXBCWSA-N |
| Molecular Formula | C18H16O8 |
| Exact Mass | 360.084 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 | No License Provided |
| Id | 49557dd8-d4f2-416c-94ca-4759a289d2f0 |
| Package id | msbnk-antwerp_univ-metox_n108926_9c9c |
| Resource type | HTML |
| State | active |